1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride

C23H40ClNO — CID 54602375

IUPAC1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride
SMILESCCCCCCCCCCC(C(O)c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C23H39NO.ClH/c1-2-3-4-5-6-7-8-13-18-22(24-19-14-10-15-20-24)23(25)21-16-11-9-12-17-21;/h9,11-12,16-17,22-23,25H,2-8,10,13-15,18-20H2,1H3;1H
InChIKeyMGOUEMGWEXDWQY-UHFFFAOYSA-N
MW382.03 g/mol
LogP6.53
Rot. Bonds12

About 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride

1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride (PubChem CID 54602375) has the molecular formula C23H40ClNO and a molecular weight of 382.03 g/mol. Its IUPAC name is 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride
PubChem CID54602375
Molecular FormulaC23H40ClNO
Molecular Weight382.03 g/mol
Exact Mass381.28
IUPAC Name1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride
SMILESCCCCCCCCCCC(C(O)c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C23H39NO.ClH/c1-2-3-4-5-6-7-8-13-18-22(24-19-14-10-15-20-24)23(25)21-16-11-9-12-17-21;/h9,11-12,16-17,22-23,25H,2-8,10,13-15,18-20H2,1H3;1H
InChIKeyMGOUEMGWEXDWQY-UHFFFAOYSA-N
XLogP6.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.03
LogP ≤ 56.53
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

1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride
CID 11529303
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
(1R)-1-phenyloctan-1-ol
CID 12794259
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
(1R,2S)-1,2-diphenyl-2-piperidin-1-ylethanol
CID 23251237
(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
CID 13312187
(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
CID 135804741
(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834662
trimethyl(1-phenyloctadecyl)azanium
CID 21424303
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
CID 103501712
ethyl 2-[hydroxy(phenyl)methyl]octanoate
CID 101333316
(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 15065412

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride?
The IUPAC name of 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride (CID 54602375) is 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride?
The canonical SMILES for 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride is CCCCCCCCCCC(C(O)c1ccccc1)N1CCCCC1.Cl.
What is the InChIKey of 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride?
The InChIKey is MGOUEMGWEXDWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO.ClH/c1-2-3-4-5-6-7-8-13-18-22(24-19-14-10-15-20-24)23(25)21-16-11-9-12-17-21;/h9,11-12,16-17,22-23,25H,2-8,10,13-15,18-20H2,1H3;1H.
What are the key properties of 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride?
1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride has a molecular weight of 382.03 g/mol, XLogP of 6.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride is sourced from PubChem (CID 54602375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).