tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate

C17H27N3O2 — CID 68959408

IUPACtert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
SMILESC[C@@H]1CNCC[C@@H]1Nc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-12-11-18-9-8-15(12)19-13-6-5-7-14(10-13)20-16(21)22-17(2,3)4/h5-7,10,12,15,18-19H,8-9,11H2,1-4H3,(H,20,21)/t12-,15+/m1/s1
InChIKeyUUWLQYDJFLNPIK-DOMZBBRYSA-N
MW305.42 g/mol
LogP3.44
Rot. Bonds3

About tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate

tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate (PubChem CID 68959408) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
PubChem CID68959408
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
SMILESC[C@@H]1CNCC[C@@H]1Nc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-12-11-18-9-8-15(12)19-13-6-5-7-14(10-13)20-16(21)22-17(2,3)4/h5-7,10,12,15,18-19H,8-9,11H2,1-4H3,(H,20,21)/t12-,15+/m1/s1
InChIKeyUUWLQYDJFLNPIK-DOMZBBRYSA-N
XLogP3.44
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylic acid
CID 118691421
tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
CID 107239998
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate
CID 68568376
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
CID 107239827
tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
CID 130632560
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
CID 107239958
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
tert-butyl N-[3-[(1-oxido-2-oxopiperidin-1-ium-3-yl)amino]phenyl]carbamate
CID 163891937
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate (CID 68959408) is tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate is C[C@@H]1CNCC[C@@H]1Nc1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate?
The InChIKey is UUWLQYDJFLNPIK-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-11-18-9-8-15(12)19-13-6-5-7-14(10-13)20-16(21)22-17(2,3)4/h5-7,10,12,15,18-19H,8-9,11H2,1-4H3,(H,20,21)/t12-,15+/m1/s1.
What are the key properties of tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate?
tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate is sourced from PubChem (CID 68959408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).