tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate

C16H31N3O2 — CID 83009142

IUPACtert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NN2CCCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)17-13-8-7-9-14(12-13)18-19-10-5-4-6-11-19/h13-14,18H,4-12H2,1-3H3,(H,17,20)
InChIKeyPOUHMZDTTZULID-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate

tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate (PubChem CID 83009142) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
PubChem CID83009142
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NN2CCCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)17-13-8-7-9-14(12-13)18-19-10-5-4-6-11-19/h13-14,18H,4-12H2,1-3H3,(H,17,20)
InChIKeyPOUHMZDTTZULID-UHFFFAOYSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate
CID 83007357
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
CID 103720174
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[(1R,3S)-3-(4-methylpiperazine-1-carbonyl)cyclohexyl]carbamate
CID 129306101
tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
CID 129446084
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate (CID 83009142) is tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NN2CCCCC2)C1.
What is the InChIKey of tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate?
The InChIKey is POUHMZDTTZULID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)17-13-8-7-9-14(12-13)18-19-10-5-4-6-11-19/h13-14,18H,4-12H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate?
tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate has a molecular weight of 297.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 83009142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).