3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine

C47H92N10 — CID 167663940

IUPAC3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine
SMILESC1CC2CN(C3CC3)CC1N2.CC(C)C1CN(C2CC2)CCN1.CC(C)[C@@H]1CN(C2CC2)CCN1.C[C@@H]1CN(C2CC2)C[C@H](C)N1.C[C@@H]1CN[C@@H](C)CN1C1CC1
InChIInChI=1S/2C10H20N2.C9H16N2.2C9H18N2/c2*1-8(2)10-7-12(6-5-11-10)9-3-4-9;1-2-8-6-11(9-3-4-9)5-7(1)10-8;1-7-6-11(9-3-4-9)8(2)5-10-7;1-7-5-11(9-3-4-9)6-8(2)10-7/h2*8-11H,3-7H2,1-2H3;7-10H,1-6H2;2*7-10H,3-6H2,1-2H3/t10-;;;2*7-,8+/m0..0./s1
InChIKeySIZTYLRPTCXCNZ-CQNDIIIJSA-N
MW797.32 g/mol
LogP4.40
Rot. Bonds7

About 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine

3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine (PubChem CID 167663940) has the molecular formula C47H92N10 and a molecular weight of 797.32 g/mol. Its IUPAC name is 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine
PubChem CID167663940
Molecular FormulaC47H92N10
Molecular Weight797.32 g/mol
Exact Mass796.75
IUPAC Name3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine
SMILESC1CC2CN(C3CC3)CC1N2.CC(C)C1CN(C2CC2)CCN1.CC(C)[C@@H]1CN(C2CC2)CCN1.C[C@@H]1CN(C2CC2)C[C@H](C)N1.C[C@@H]1CN[C@@H](C)CN1C1CC1
InChIInChI=1S/2C10H20N2.C9H16N2.2C9H18N2/c2*1-8(2)10-7-12(6-5-11-10)9-3-4-9;1-2-8-6-11(9-3-4-9)5-7(1)10-8;1-7-6-11(9-3-4-9)8(2)5-10-7;1-7-5-11(9-3-4-9)6-8(2)10-7/h2*8-11H,3-7H2,1-2H3;7-10H,1-6H2;2*7-10H,3-6H2,1-2H3/t10-;;;2*7-,8+/m0..0./s1
InChIKeySIZTYLRPTCXCNZ-CQNDIIIJSA-N
XLogP4.40
TPSA76.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500797.32
LogP ≤ 54.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine with MolForge

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Related Compounds

3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butyl-3,5-dimethylpiperazine;(3S,5R)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-2,6-dimethylpiperidine;(2R,6S)-1-tert-butyl-2,6-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;(2S,6R)-4-tert-butyl-1,2,6-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 157953789
1-azabicyclo[2.2.2]octane;1-methylazepane;1-methylpiperidine;tris(N-methylpropan-2-amine);1-methylpyrrolidine;piperidine;pyrrolidine
CID 158136572
1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(1,4-dimethylpiperazine);1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 158140609
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159363688
1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(1,4-dimethylpiperazine);1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine
CID 159559252
Ethane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;tris(1-propan-2-ylpiperidine)
CID 159638837
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159931852
(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;(3S)-3-methyl-1-propan-2-ylpiperidine;(3R)-3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 160224539
1-cyclohexyl-4-propan-2-ylpiperazine;N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1-ethyl-4-propan-2-ylpiperazine;N-ethyl-1-propan-2-ylpiperidin-4-amine;methane;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;tris(4-methyl-1-propan-2-ylpiperidine);bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 161391088
1-cyclohexyl-4-propan-2-ylpiperazine;N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1-ethyl-4-propan-2-ylpiperazine;N-ethyl-1-propan-2-ylpiperidin-4-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;tris(4-methyl-1-propan-2-ylpiperidine);bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 161843094
3-(Piperidin-4-ylmethyl)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 171564680

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine?
The IUPAC name of 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine (CID 167663940) is 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine.
What is the SMILES notation for 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine?
The canonical SMILES for 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine is C1CC2CN(C3CC3)CC1N2.CC(C)C1CN(C2CC2)CCN1.CC(C)[C@@H]1CN(C2CC2)CCN1.C[C@@H]1CN(C2CC2)C[C@H](C)N1.C[C@@H]1CN[C@@H](C)CN1C1CC1.
What is the InChIKey of 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine?
The InChIKey is SIZTYLRPTCXCNZ-CQNDIIIJSA-N. The full InChI is InChI=1S/2C10H20N2.C9H16N2.2C9H18N2/c2*1-8(2)10-7-12(6-5-11-10)9-3-4-9;1-2-8-6-11(9-3-4-9)5-7(1)10-8;1-7-6-11(9-3-4-9)8(2)5-10-7;1-7-5-11(9-3-4-9)6-8(2)10-7/h2*8-11H,3-7H2,1-2H3;7-10H,1-6H2;2*7-10H,3-6H2,1-2H3/t10-;;;2*7-,8+/m0..0./s1.
What are the key properties of 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine?
3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine has a molecular weight of 797.32 g/mol, XLogP of 4.40, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane;(2R,5S)-1-cyclopropyl-2,5-dimethylpiperazine;(3R,5S)-1-cyclopropyl-3,5-dimethylpiperazine;(3R)-1-cyclopropyl-3-propan-2-ylpiperazine;(3S)-1-cyclopropyl-3-propan-2-ylpiperazine is sourced from PubChem (CID 167663940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).