phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol

C15H19NO — CID 110884402

IUPACphenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
SMILESC#CCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO/c1-2-10-16-11-8-14(9-12-16)15(17)13-6-4-3-5-7-13/h1,3-7,14-15,17H,8-12H2
InChIKeyRIQZZWWTTMLNDE-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.07
Rot. Bonds3

About phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol

phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol (PubChem CID 110884402) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol.

Molecular Properties

Compound Namephenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
PubChem CID110884402
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Namephenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
SMILESC#CCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO/c1-2-10-16-11-8-14(9-12-16)15(17)13-6-4-3-5-7-13/h1,3-7,14-15,17H,8-12H2
InChIKeyRIQZZWWTTMLNDE-UHFFFAOYSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 51092869
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 33349056
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36668372
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431

Frequently Asked Questions

What is the IUPAC name of phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol?
The IUPAC name of phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol (CID 110884402) is phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol.
What is the SMILES notation for phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol?
The canonical SMILES for phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol is C#CCN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol?
The InChIKey is RIQZZWWTTMLNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-10-16-11-8-14(9-12-16)15(17)13-6-4-3-5-7-13/h1,3-7,14-15,17H,8-12H2.
What are the key properties of phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol?
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol has a molecular weight of 229.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol is sourced from PubChem (CID 110884402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).