3-(5-piperidin-4-ylhexan-2-yl)piperidine

C16H32N2 — CID 129299226

IUPAC3-(5-piperidin-4-ylhexan-2-yl)piperidine
SMILESCC(CCC(C)C1CCCNC1)C1CCNCC1
InChIInChI=1S/C16H32N2/c1-13(15-7-10-17-11-8-15)5-6-14(2)16-4-3-9-18-12-16/h13-18H,3-12H2,1-2H3
InChIKeyOWVHTRJOAPEUMX-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.04
Rot. Bonds5

About 3-(5-piperidin-4-ylhexan-2-yl)piperidine

3-(5-piperidin-4-ylhexan-2-yl)piperidine (PubChem CID 129299226) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-(5-piperidin-4-ylhexan-2-yl)piperidine.

Molecular Properties

Compound Name3-(5-piperidin-4-ylhexan-2-yl)piperidine
PubChem CID129299226
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-(5-piperidin-4-ylhexan-2-yl)piperidine
SMILESCC(CCC(C)C1CCCNC1)C1CCNCC1
InChIInChI=1S/C16H32N2/c1-13(15-7-10-17-11-8-15)5-6-14(2)16-4-3-9-18-12-16/h13-18H,3-12H2,1-2H3
InChIKeyOWVHTRJOAPEUMX-UHFFFAOYSA-N
XLogP3.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(cyclopropylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81044779
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
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3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine
CID 102913685
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-(6,6,6-trifluorohexan-2-yl)pyrrolidine
CID 116536150
3-(2-cyclobutylpropyl)piperidine
CID 130987572
4-(1-fluoroethyl)azepane
CID 105428868
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553

Frequently Asked Questions

What is the IUPAC name of 3-(5-piperidin-4-ylhexan-2-yl)piperidine?
The IUPAC name of 3-(5-piperidin-4-ylhexan-2-yl)piperidine (CID 129299226) is 3-(5-piperidin-4-ylhexan-2-yl)piperidine.
What is the SMILES notation for 3-(5-piperidin-4-ylhexan-2-yl)piperidine?
The canonical SMILES for 3-(5-piperidin-4-ylhexan-2-yl)piperidine is CC(CCC(C)C1CCCNC1)C1CCNCC1.
What is the InChIKey of 3-(5-piperidin-4-ylhexan-2-yl)piperidine?
The InChIKey is OWVHTRJOAPEUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(15-7-10-17-11-8-15)5-6-14(2)16-4-3-9-18-12-16/h13-18H,3-12H2,1-2H3.
What are the key properties of 3-(5-piperidin-4-ylhexan-2-yl)piperidine?
3-(5-piperidin-4-ylhexan-2-yl)piperidine has a molecular weight of 252.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperidin-4-ylhexan-2-yl)piperidine is sourced from PubChem (CID 129299226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).