benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate

C15H22N2O3 — CID 142520241

IUPACbenzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
SMILESO=C(NC(CO)C1CCNCC1)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-10-14(13-6-8-16-9-7-13)17-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14,16,18H,6-11H2,(H,17,19)
InChIKeyLGYKMADRSFJYBM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds5

About benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate

benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate (PubChem CID 142520241) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
PubChem CID142520241
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
SMILESO=C(NC(CO)C1CCNCC1)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-10-14(13-6-8-16-9-7-13)17-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14,16,18H,6-11H2,(H,17,19)
InChIKeyLGYKMADRSFJYBM-UHFFFAOYSA-N
XLogP1.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl 2-amino-2-pyrrolidin-3-ylacetate
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(3S)-3-[(1S)-cyclohex-3-en-1-yl]-3-(phenylmethoxycarbonylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate?
The IUPAC name of benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate (CID 142520241) is benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate.
What is the SMILES notation for benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate?
The canonical SMILES for benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate is O=C(NC(CO)C1CCNCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate?
The InChIKey is LGYKMADRSFJYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-10-14(13-6-8-16-9-7-13)17-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14,16,18H,6-11H2,(H,17,19).
What are the key properties of benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate?
benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate is sourced from PubChem (CID 142520241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).