tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate

C16H24N2O3 — CID 84815016

IUPACtert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCNC1c1ccccc1O
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-12-8-6-10-17-14(12)11-7-4-5-9-13(11)19/h4-5,7,9,12,14,17,19H,6,8,10H2,1-3H3,(H,18,20)
InChIKeySQLQJFOVYPJDOV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate

tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate (PubChem CID 84815016) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate
PubChem CID84815016
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCNC1c1ccccc1O
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-12-8-6-10-17-14(12)11-7-4-5-9-13(11)19/h4-5,7,9,12,14,17,19H,6,8,10H2,1-3H3,(H,18,20)
InChIKeySQLQJFOVYPJDOV-UHFFFAOYSA-N
XLogP2.71
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 84811886
tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 84815022
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
tert-butyl N-[(2S,3R)-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 132562193
tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59684529
tert-butyl N-(2-piperidin-2-ylphenyl)carbamate
CID 45357060
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
CID 163830103
tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
CID 107244141
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate;tert-butyl N-[(1S)-2-phenylmethoxycyclohexyl]carbamate
CID 158364614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate (CID 84815016) is tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCNC1c1ccccc1O.
What is the InChIKey of tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate?
The InChIKey is SQLQJFOVYPJDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-12-8-6-10-17-14(12)11-7-4-5-9-13(11)19/h4-5,7,9,12,14,17,19H,6,8,10H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate?
tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxyphenyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 84815016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).