[3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride

C18H29ClN2O — CID 120857967

IUPAC[3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(c2ccccc2)CCCN(CC2CCNCC2)C1
InChIInChI=1S/C18H28N2O.ClH/c21-15-18(17-5-2-1-3-6-17)9-4-12-20(14-18)13-16-7-10-19-11-8-16;/h1-3,5-6,16,19,21H,4,7-15H2;1H
InChIKeyDDRPVBHTGGASEC-UHFFFAOYSA-N
MW324.90 g/mol
LogP2.43
Rot. Bonds4

About [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride

[3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride (PubChem CID 120857967) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride
PubChem CID120857967
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name[3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(c2ccccc2)CCCN(CC2CCNCC2)C1
InChIInChI=1S/C18H28N2O.ClH/c21-15-18(17-5-2-1-3-6-17)9-4-12-20(14-18)13-16-7-10-19-11-8-16;/h1-3,5-6,16,19,21H,4,7-15H2;1H
InChIKeyDDRPVBHTGGASEC-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride
CID 119932289
4-phenyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119931344
(3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol
CID 155405702
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol
CID 120858035
1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol
CID 119931795
4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine
CID 120858319
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol
CID 120905528
7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
CID 119932073
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
CID 119932561

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride?
The IUPAC name of [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride (CID 120857967) is [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride is Cl.OCC1(c2ccccc2)CCCN(CC2CCNCC2)C1.
What is the InChIKey of [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride?
The InChIKey is DDRPVBHTGGASEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c21-15-18(17-5-2-1-3-6-17)9-4-12-20(14-18)13-16-7-10-19-11-8-16;/h1-3,5-6,16,19,21H,4,7-15H2;1H.
What are the key properties of [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride?
[3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 120857967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).