tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate

C16H25N3O2 — CID 68961364

IUPACtert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC2CCNCC2)c1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-14-6-4-5-13(11-14)18-12-7-9-17-10-8-12/h4-6,11-12,17-18H,7-10H2,1-3H3,(H,19,20)
InChIKeyRIWOXJJCBKQTBJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate

tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate (PubChem CID 68961364) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
PubChem CID68961364
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC2CCNCC2)c1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-14-6-4-5-13(11-14)18-12-7-9-17-10-8-12/h4-6,11-12,17-18H,7-10H2,1-3H3,(H,19,20)
InChIKeyRIWOXJJCBKQTBJ-UHFFFAOYSA-N
XLogP3.20
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
CID 68959408
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
CID 107239827
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
CID 107239958
tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate
CID 68568376
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
CID 130632560
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylic acid
CID 118691421
tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate (CID 68961364) is tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(NC2CCNCC2)c1.
What is the InChIKey of tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate?
The InChIKey is RIWOXJJCBKQTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-14-6-4-5-13(11-14)18-12-7-9-17-10-8-12/h4-6,11-12,17-18H,7-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate?
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate has a molecular weight of 291.40 g/mol, XLogP of 3.20, 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-(piperidin-4-ylamino)phenyl]carbamate is sourced from PubChem (CID 68961364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).