benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate

C14H20N2O3 — CID 70001359

IUPACbenzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate
SMILESO=C(NN1CCC(CO)CC1)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c17-10-12-6-8-16(9-7-12)15-14(18)19-11-13-4-2-1-3-5-13/h1-5,12,17H,6-11H2,(H,15,18)
InChIKeyOFCGTXCFNHQCPN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.53
Rot. Bonds4

About benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate

benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate (PubChem CID 70001359) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate
PubChem CID70001359
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate
SMILESO=C(NN1CCC(CO)CC1)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c17-10-12-6-8-16(9-7-12)15-14(18)19-11-13-4-2-1-3-5-13/h1-5,12,17H,6-11H2,(H,15,18)
InChIKeyOFCGTXCFNHQCPN-UHFFFAOYSA-N
XLogP1.53
TPSA61.80 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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl N-[4-[(4-oxocyclohexyl)methyl]piperazin-1-yl]carbamate
CID 178015531
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate;methanesulfonic acid
CID 86749923
benzyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106484236
(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 91667012
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate
CID 142686374
benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate
CID 178100467
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
benzyl (1S,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043315

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate?
The IUPAC name of benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate (CID 70001359) is benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate.
What is the SMILES notation for benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate?
The canonical SMILES for benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate is O=C(NN1CCC(CO)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate?
The InChIKey is OFCGTXCFNHQCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-10-12-6-8-16(9-7-12)15-14(18)19-11-13-4-2-1-3-5-13/h1-5,12,17H,6-11H2,(H,15,18).
What are the key properties of benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate?
benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate is sourced from PubChem (CID 70001359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).