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

C23H45ClN2O — CID 11661301

IUPAC1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCC(=O)N1CCC(C2CCNCC2)CC1.Cl
InChIInChI=1S/C23H44N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-23(26)25-19-15-22(16-20-25)21-13-17-24-18-14-21;/h21-22,24H,2-20H2,1H3;1H
InChIKeyGIIGOLSRWHPRTD-UHFFFAOYSA-N
MW401.08 g/mol
LogP5.96
Rot. Bonds12

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

1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride (PubChem CID 11661301) has the molecular formula C23H45ClN2O and a molecular weight of 401.08 g/mol. Its IUPAC name is 1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
PubChem CID11661301
Molecular FormulaC23H45ClN2O
Molecular Weight401.08 g/mol
Exact Mass400.32
IUPAC Name1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCC(=O)N1CCC(C2CCNCC2)CC1.Cl
InChIInChI=1S/C23H44N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-23(26)25-19-15-22(16-20-25)21-13-17-24-18-14-21;/h21-22,24H,2-20H2,1H3;1H
InChIKeyGIIGOLSRWHPRTD-UHFFFAOYSA-N
XLogP5.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.08
LogP ≤ 55.96
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

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1-(4-methylpiperidin-1-yl)tetradecan-1-one
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1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
CID 63259335
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
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CID 166490088
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(4-bromopiperidin-1-yl)decan-1-one
CID 80661862
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-one
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1-pyrrolidin-1-ylheptadecan-1-one
CID 574649

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride?
The IUPAC name of 1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride (CID 11661301) is 1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride?
The canonical SMILES for 1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride is CCCCCCCCCCCCC(=O)N1CCC(C2CCNCC2)CC1.Cl.
What is the InChIKey of 1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride?
The InChIKey is GIIGOLSRWHPRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-23(26)25-19-15-22(16-20-25)21-13-17-24-18-14-21;/h21-22,24H,2-20H2,1H3;1H.
What are the key properties of 1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride?
1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride has a molecular weight of 401.08 g/mol, XLogP of 5.96, 12 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)tridecan-1-one;hydrochloride is sourced from PubChem (CID 11661301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).