1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride

C27H53ClN2O — CID 11612247

IUPAC1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(CCC2CCNCC2)CC1.Cl
InChIInChI=1S/C27H52N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27(30)29-23-19-26(20-24-29)16-15-25-17-21-28-22-18-25;/h25-26,28H,2-24H2,1H3;1H
InChIKeyXOIVJDKSJDFOKW-UHFFFAOYSA-N
MW457.19 g/mol
LogP7.52
Rot. Bonds16

About 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride

1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride (PubChem CID 11612247) has the molecular formula C27H53ClN2O and a molecular weight of 457.19 g/mol. Its IUPAC name is 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride
PubChem CID11612247
Molecular FormulaC27H53ClN2O
Molecular Weight457.19 g/mol
Exact Mass456.38
IUPAC Name1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(CCC2CCNCC2)CC1.Cl
InChIInChI=1S/C27H52N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27(30)29-23-19-26(20-24-29)16-15-25-17-21-28-22-18-25;/h25-26,28H,2-24H2,1H3;1H
InChIKeyXOIVJDKSJDFOKW-UHFFFAOYSA-N
XLogP7.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.19
LogP ≤ 57.52
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

Isostearamidopropyl Dimethylamine
CID 105621
Isononanamide, N-(2-ethylhexyl)-
CID 15334712
Cyclohexanecarboxylic acid (9-butyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
CID 3218215
2-cyclohexyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 651966
Cyclohexanecarboxylic acid (9-propyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
CID 3217977
1-(4-Piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride
CID 11532034
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11546730
1-[4-[2-(1-Methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11576426
3-Dodecylpiperidin-2-one
CID 67992079
1-(4-Piperidin-4-ylpiperidin-1-yl)heptadecan-1-one;hydrochloride
CID 11532641
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]heptadecan-1-one;hydrochloride
CID 11648484
1-(4-Piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
CID 11661301

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride?
The IUPAC name of 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride (CID 11612247) is 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride is CCCCCCCCCCCCCCC(=O)N1CCC(CCC2CCNCC2)CC1.Cl.
What is the InChIKey of 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride?
The InChIKey is XOIVJDKSJDFOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27(30)29-23-19-26(20-24-29)16-15-25-17-21-28-22-18-25;/h25-26,28H,2-24H2,1H3;1H.
What are the key properties of 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride?
1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride has a molecular weight of 457.19 g/mol, XLogP of 7.52, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride is sourced from PubChem (CID 11612247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).