1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine

C21H42N2 — CID 123314475

IUPAC1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
SMILESCC(C)CCCCCN1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C21H42N2/c1-19(2)7-4-3-5-16-23-17-12-21(13-18-23)9-6-8-20-10-14-22-15-11-20/h19-22H,3-18H2,1-2H3
InChIKeyFNJSWFMBEGDGPQ-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.08
Rot. Bonds10

About 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine

1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine (PubChem CID 123314475) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine.

Molecular Properties

Compound Name1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
PubChem CID123314475
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
SMILESCC(C)CCCCCN1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C21H42N2/c1-19(2)7-4-3-5-16-23-17-12-21(13-18-23)9-6-8-20-10-14-22-15-11-20/h19-22H,3-18H2,1-2H3
InChIKeyFNJSWFMBEGDGPQ-UHFFFAOYSA-N
XLogP5.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080
1-(8-methylnonyl)piperazine
CID 170614920
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
1-(5-methylhexyl)-1,5-diazocane
CID 115326852
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466
4-(6-methylheptyl)azonane
CID 18957808
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
4-[3-(3-methoxypyrrolidin-1-yl)propyl]piperidine
CID 103534757
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
6-[4-(3-methylbutyl)piperidin-1-yl]hexanal
CID 164535749
2-[4-(7-methyloctyl)piperidin-1-yl]ethyl nitrate
CID 59351933

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine?
The IUPAC name of 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine (CID 123314475) is 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine.
What is the SMILES notation for 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine?
The canonical SMILES for 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine is CC(C)CCCCCN1CCC(CCCC2CCNCC2)CC1.
What is the InChIKey of 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine?
The InChIKey is FNJSWFMBEGDGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-19(2)7-4-3-5-16-23-17-12-21(13-18-23)9-6-8-20-10-14-22-15-11-20/h19-22H,3-18H2,1-2H3.
What are the key properties of 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine?
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine has a molecular weight of 322.58 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine is sourced from PubChem (CID 123314475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).