1-heptyl-4-piperidin-4-ylpiperidine

C17H34N2 — CID 44592883

IUPAC1-heptyl-4-piperidin-4-ylpiperidine
SMILESCCCCCCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H34N2/c1-2-3-4-5-6-13-19-14-9-17(10-15-19)16-7-11-18-12-8-16/h16-18H,2-15H2,1H3
InChIKeyMHAVGFAEWFWTGG-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds7

About 1-heptyl-4-piperidin-4-ylpiperidine

1-heptyl-4-piperidin-4-ylpiperidine (PubChem CID 44592883) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-heptyl-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-heptyl-4-piperidin-4-ylpiperidine
PubChem CID44592883
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-heptyl-4-piperidin-4-ylpiperidine
SMILESCCCCCCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H34N2/c1-2-3-4-5-6-13-19-14-9-17(10-15-19)16-7-11-18-12-8-16/h16-18H,2-15H2,1H3
InChIKeyMHAVGFAEWFWTGG-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-heptyl-4-piperidin-4-ylpiperidine (CID 44592883) is 1-heptyl-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-heptyl-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-heptyl-4-piperidin-4-ylpiperidine is CCCCCCCN1CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-heptyl-4-piperidin-4-ylpiperidine?
The InChIKey is MHAVGFAEWFWTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-2-3-4-5-6-13-19-14-9-17(10-15-19)16-7-11-18-12-8-16/h16-18H,2-15H2,1H3.
What are the key properties of 1-heptyl-4-piperidin-4-ylpiperidine?
1-heptyl-4-piperidin-4-ylpiperidine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 44592883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).