tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate

C17H33N3O2 — CID 107251407

IUPACtert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NC1CCCNC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)19-11-13-7-4-5-9-15(13)20-14-8-6-10-18-12-14/h13-15,18,20H,4-12H2,1-3H3,(H,19,21)
InChIKeyLKSJBFTWHIIKKL-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.41
Rot. Bonds4

About tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate (PubChem CID 107251407) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
PubChem CID107251407
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NC1CCCNC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)19-11-13-7-4-5-9-15(13)20-14-8-6-10-18-12-14/h13-15,18,20H,4-12H2,1-3H3,(H,19,21)
InChIKeyLKSJBFTWHIIKKL-UHFFFAOYSA-N
XLogP2.41
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 103695447
tert-butyl N-[[2-[(3-methylcyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 115972861
tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 99782010
tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
tert-butyl N-[[2-[(3-methoxycyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 104584543
tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103819112
tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate
CID 107244169
tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
CID 84812476
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 106253113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate (CID 107251407) is tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCC1NC1CCCNC1.
What is the InChIKey of tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate?
The InChIKey is LKSJBFTWHIIKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)19-11-13-7-4-5-9-15(13)20-14-8-6-10-18-12-14/h13-15,18,20H,4-12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate has a molecular weight of 311.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 107251407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).