[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone

C16H23NO2 — CID 111487256

IUPAC[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
SMILESCC[C@@H](O)CN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-15(18)12-17-10-8-14(9-11-17)16(19)13-6-4-3-5-7-13/h3-7,14-15,18H,2,8-12H2,1H3/t15-/m1/s1
InChIKeyXDTNDEZPHXRVKA-OAHLLOKOSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds5

About [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone

[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone (PubChem CID 111487256) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
PubChem CID111487256
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
SMILESCC[C@@H](O)CN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-15(18)12-17-10-8-14(9-11-17)16(19)13-6-4-3-5-7-13/h3-7,14-15,18H,2,8-12H2,1H3/t15-/m1/s1
InChIKeyXDTNDEZPHXRVKA-OAHLLOKOSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 55504363
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 62198498
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 78903776
propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate
CID 56807214
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone (CID 111487256) is [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone is CC[C@@H](O)CN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is XDTNDEZPHXRVKA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-15(18)12-17-10-8-14(9-11-17)16(19)13-6-4-3-5-7-13/h3-7,14-15,18H,2,8-12H2,1H3/t15-/m1/s1.
What are the key properties of [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone?
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 261.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 111487256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).