N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide

C16H24N2O2 — CID 102736626

IUPACN-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccccc2[C@H](C)O)CC1
InChIInChI=1S/C16H24N2O2/c1-12(19)15-5-3-4-6-16(15)18-9-7-14(8-10-18)11-17-13(2)20/h3-6,12,14,19H,7-11H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyOBUIQNMROAVTHF-LBPRGKRZSA-N
MW276.38 g/mol
LogP2.09
Rot. Bonds4

About N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736626) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736626
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccccc2[C@H](C)O)CC1
InChIInChI=1S/C16H24N2O2/c1-12(19)15-5-3-4-6-16(15)18-9-7-14(8-10-18)11-17-13(2)20/h3-6,12,14,19H,7-11H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyOBUIQNMROAVTHF-LBPRGKRZSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide
CID 102736611
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475
(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597981
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
N-[[1-[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736631
N-[[1-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55745618
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877242
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
2-[4-(acetamidomethyl)piperidin-1-yl]-4-methylbenzoic acid
CID 102736410
(1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol
CID 63370963

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide (CID 102736626) is N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccccc2[C@H](C)O)CC1.
What is the InChIKey of N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is OBUIQNMROAVTHF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(19)15-5-3-4-6-16(15)18-9-7-14(8-10-18)11-17-13(2)20/h3-6,12,14,19H,7-11H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).