3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine

C54H108N8 — CID 161411636

IUPAC3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
SMILESCC(C)N1CCC(N2CCCCCC2)C1.CC(C)N1CCC(N2CCCCCCC2)C1.CC(C)N1CCCC(N2CCCC2)C1.CC1CC(C)CN(C2CCCN(C(C)C)C2)C1
InChIInChI=1S/C15H30N2.C14H28N2.C13H26N2.C12H24N2/c1-12(2)16-7-5-6-15(11-16)17-9-13(3)8-14(4)10-17;1-13(2)16-11-8-14(12-16)15-9-6-4-3-5-7-10-15;1-12(2)15-10-7-13(11-15)14-8-5-3-4-6-9-14;1-11(2)14-9-5-6-12(10-14)13-7-3-4-8-13/h12-15H,5-11H2,1-4H3;13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3
InChIKeyVVNSEUQAGOJROM-UHFFFAOYSA-N
MW869.51 g/mol
LogP9.87
Rot. Bonds8

About 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine

3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine (PubChem CID 161411636) has the molecular formula C54H108N8 and a molecular weight of 869.51 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
PubChem CID161411636
Molecular FormulaC54H108N8
Molecular Weight869.51 g/mol
Exact Mass868.87
IUPAC Name3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine
SMILESCC(C)N1CCC(N2CCCCCC2)C1.CC(C)N1CCC(N2CCCCCCC2)C1.CC(C)N1CCCC(N2CCCC2)C1.CC1CC(C)CN(C2CCCN(C(C)C)C2)C1
InChIInChI=1S/C15H30N2.C14H28N2.C13H26N2.C12H24N2/c1-12(2)16-7-5-6-15(11-16)17-9-13(3)8-14(4)10-17;1-13(2)16-11-8-14(12-16)15-9-6-4-3-5-7-10-15;1-12(2)15-10-7-13(11-15)14-8-5-3-4-6-9-14;1-11(2)14-9-5-6-12(10-14)13-7-3-4-8-13/h12-15H,5-11H2,1-4H3;13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3
InChIKeyVVNSEUQAGOJROM-UHFFFAOYSA-N
XLogP9.87
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.51
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine with MolForge

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Related Compounds

2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine;(2R)-1,2,4-trimethylpiperazine
CID 159408036
2,5-Di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
CID 160904602
2,5-Ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,9-ditert-butyl-3,9-diazabicyclo[3.3.1]nonane;3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
CID 161301958
9,9-Dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane;2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-1,4-diazepane
CID 163866224

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine (CID 161411636) is 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine is CC(C)N1CCC(N2CCCCCC2)C1.CC(C)N1CCC(N2CCCCCCC2)C1.CC(C)N1CCCC(N2CCCC2)C1.CC1CC(C)CN(C2CCCN(C(C)C)C2)C1.
What is the InChIKey of 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine?
The InChIKey is VVNSEUQAGOJROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C14H28N2.C13H26N2.C12H24N2/c1-12(2)16-7-5-6-15(11-16)17-9-13(3)8-14(4)10-17;1-13(2)16-11-8-14(12-16)15-9-6-4-3-5-7-10-15;1-12(2)15-10-7-13(11-15)14-8-5-3-4-6-9-14;1-11(2)14-9-5-6-12(10-14)13-7-3-4-8-13/h12-15H,5-11H2,1-4H3;13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine?
3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine has a molecular weight of 869.51 g/mol, XLogP of 9.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)piperidine;1-(1-propan-2-ylpyrrolidin-3-yl)azepane;1-(1-propan-2-ylpyrrolidin-3-yl)azocane;1-propan-2-yl-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 161411636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).