[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate

C14H20N2O3 — CID 175174460

IUPAC[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C14H20N2O3/c15-14(18)19-13-5-7-16(8-6-13)9-11-1-3-12(10-17)4-2-11/h1-4,13,17H,5-10H2,(H2,15,18)
InChIKeyQRSSJSIJUDQOCS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.24
Rot. Bonds4

About [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate

[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate (PubChem CID 175174460) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate
PubChem CID175174460
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C14H20N2O3/c15-14(18)19-13-5-7-16(8-6-13)9-11-1-3-12(10-17)4-2-11/h1-4,13,17H,5-10H2,(H2,15,18)
InChIKeyQRSSJSIJUDQOCS-UHFFFAOYSA-N
XLogP1.24
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
(2R)-2-hydroxy-2-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 129490248
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919932
[4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol
CID 110008205
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate
CID 18919757
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919781
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
[1-[(4-bromophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919904

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate?
The IUPAC name of [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate (CID 175174460) is [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate.
What is the SMILES notation for [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate?
The canonical SMILES for [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate is NC(=O)OC1CCN(Cc2ccc(CO)cc2)CC1.
What is the InChIKey of [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate?
The InChIKey is QRSSJSIJUDQOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-14(18)19-13-5-7-16(8-6-13)9-11-1-3-12(10-17)4-2-11/h1-4,13,17H,5-10H2,(H2,15,18).
What are the key properties of [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate?
[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate is sourced from PubChem (CID 175174460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).