N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide

C16H24N2O2 — CID 102736595

IUPACN-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(CO)cc2C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-9-15(11-19)3-4-16(12)18-7-5-14(6-8-18)10-17-13(2)20/h3-4,9,14,19H,5-8,10-11H2,1-2H3,(H,17,20)
InChIKeyOZNHSJFIZPLTNL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds4

About N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide

N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736595) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736595
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(CO)cc2C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-9-15(11-19)3-4-16(12)18-7-5-14(6-8-18)10-17-13(2)20/h3-4,9,14,19H,5-8,10-11H2,1-2H3,(H,17,20)
InChIKeyOZNHSJFIZPLTNL-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
CID 103498515
2-[4-(acetamidomethyl)piperidin-1-yl]-4-methylbenzoic acid
CID 102736410
[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol
CID 55039974
1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 62122049
N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide
CID 102736611
2-[4-(acetamidomethyl)piperidin-1-yl]-4-bromobenzoic acid
CID 102736530
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylphenyl]methanol
CID 62121729
N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107933077
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 68507262
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
CID 102736626

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide (CID 102736595) is N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccc(CO)cc2C)CC1.
What is the InChIKey of N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is OZNHSJFIZPLTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-15(11-19)3-4-16(12)18-7-5-14(6-8-18)10-17-13(2)20/h3-4,9,14,19H,5-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).