methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate

C15H22N2O2 — CID 174765782

IUPACmethyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CNCCC1CCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)17-14-11-16-10-9-13(14)8-7-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3,(H,17,18)
InChIKeyVZWNFUSQWIQPQN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds4

About methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate

methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate (PubChem CID 174765782) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate
PubChem CID174765782
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CNCCC1CCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)17-14-11-16-10-9-13(14)8-7-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3,(H,17,18)
InChIKeyVZWNFUSQWIQPQN-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
tert-butyl N-[(1S,2S)-2-(2-phenylethyl)cyclopropyl]carbamate
CID 178006436
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 57367804
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid
CID 134420583
methyl N-[(3R,4S)-3-fluoropiperidin-4-yl]carbamate
CID 131732391

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate (CID 174765782) is methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate is COC(=O)NC1CNCCC1CCc1ccccc1.
What is the InChIKey of methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate?
The InChIKey is VZWNFUSQWIQPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-15(18)17-14-11-16-10-9-13(14)8-7-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3,(H,17,18).
What are the key properties of methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate?
methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-phenylethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 174765782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).