1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride

C25H49ClN2O — CID 11532034

IUPAC1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(C2CCNCC2)CC1.Cl
InChIInChI=1S/C25H48N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25(28)27-21-17-24(18-22-27)23-15-19-26-20-16-23;/h23-24,26H,2-22H2,1H3;1H
InChIKeyDUEPTAHDYFJSQR-UHFFFAOYSA-N
MW429.13 g/mol
LogP6.74
Rot. Bonds14

About 1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride

1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride (PubChem CID 11532034) has the molecular formula C25H49ClN2O and a molecular weight of 429.13 g/mol. Its IUPAC name is 1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride
PubChem CID11532034
Molecular FormulaC25H49ClN2O
Molecular Weight429.13 g/mol
Exact Mass428.35
IUPAC Name1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(C2CCNCC2)CC1.Cl
InChIInChI=1S/C25H48N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25(28)27-21-17-24(18-22-27)23-15-19-26-20-16-23;/h23-24,26H,2-22H2,1H3;1H
InChIKeyDUEPTAHDYFJSQR-UHFFFAOYSA-N
XLogP6.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.13
LogP ≤ 56.74
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-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride?
The IUPAC name of 1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride (CID 11532034) is 1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride?
The canonical SMILES for 1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride is CCCCCCCCCCCCCCC(=O)N1CCC(C2CCNCC2)CC1.Cl.
What is the InChIKey of 1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride?
The InChIKey is DUEPTAHDYFJSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25(28)27-21-17-24(18-22-27)23-15-19-26-20-16-23;/h23-24,26H,2-22H2,1H3;1H.
What are the key properties of 1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride?
1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride has a molecular weight of 429.13 g/mol, XLogP of 6.74, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride is sourced from PubChem (CID 11532034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).