1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine

C16H33N3 — CID 81044402

IUPAC1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
SMILESCC(CCN1CCN(C(C)C)CC1)C1CCCNC1
InChIInChI=1S/C16H33N3/c1-14(2)19-11-9-18(10-12-19)8-6-15(3)16-5-4-7-17-13-16/h14-17H,4-13H2,1-3H3
InChIKeyLHCVPPMTFYZLQO-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds5

About 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine

1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine (PubChem CID 81044402) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
PubChem CID81044402
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
SMILESCC(CCN1CCN(C(C)C)CC1)C1CCCNC1
InChIInChI=1S/C16H33N3/c1-14(2)19-11-9-18(10-12-19)8-6-15(3)16-5-4-7-17-13-16/h14-17H,4-13H2,1-3H3
InChIKeyLHCVPPMTFYZLQO-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine
CID 139425550
1-(3-piperidin-3-ylbutyl)-4-(trifluoromethyl)piperidine
CID 81045481
3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
CID 81047442
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 81048505
3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine
CID 81045800
N,N-dimethyl-1-(3-piperidin-3-ylbutyl)piperidin-3-amine
CID 81045799
1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
CID 81045404
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749743
1-[4-(2-methoxyethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119838543
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045714

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine (CID 81044402) is 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine is CC(CCN1CCN(C(C)C)CC1)C1CCCNC1.
What is the InChIKey of 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine?
The InChIKey is LHCVPPMTFYZLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)19-11-9-18(10-12-19)8-6-15(3)16-5-4-7-17-13-16/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine?
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 81044402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).