tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate

C18H27ClN2O3 — CID 56771223

IUPACtert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O3/c1-18(2,3)24-17(23)20-15-8-10-21(11-9-15)12-16(22)13-4-6-14(19)7-5-13/h4-7,15-16,22H,8-12H2,1-3H3,(H,20,23)
InChIKeyRBGXOFMNJBJTTH-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.36
Rot. Bonds4

About tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate (PubChem CID 56771223) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
PubChem CID56771223
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Nametert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O3/c1-18(2,3)24-17(23)20-15-8-10-21(11-9-15)12-16(22)13-4-6-14(19)7-5-13/h4-7,15-16,22H,8-12H2,1-3H3,(H,20,23)
InChIKeyRBGXOFMNJBJTTH-UHFFFAOYSA-N
XLogP3.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 55989113
tert-butyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 111487928
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidin-4-yl]carbamate
CID 143312029
tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate
CID 111496308
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-N-cyclohexylpiperidine-4-carboxamide
CID 95146791
tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
CID 75480519
tert-butyl N-[1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 55736744
tert-butyl N-[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]carbamate
CID 178166297
tert-butyl N-[1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]carbamate
CID 86992667
tert-butyl N-[1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]piperidin-4-yl]carbamate
CID 60512994

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate (CID 56771223) is tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CC(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate?
The InChIKey is RBGXOFMNJBJTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3/c1-18(2,3)24-17(23)20-15-8-10-21(11-9-15)12-16(22)13-4-6-14(19)7-5-13/h4-7,15-16,22H,8-12H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate has a molecular weight of 354.88 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 56771223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).