tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate

C17H33N3O2 — CID 107241698

IUPACtert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CCCNC2)CC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-15-8-6-14(7-9-15)19-12-13-5-4-10-18-11-13/h13-15,18-19H,4-12H2,1-3H3,(H,20,21)
InChIKeySPJWANAGFORGNF-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.41
Rot. Bonds4

About tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate

tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate (PubChem CID 107241698) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
PubChem CID107241698
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CCCNC2)CC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-15-8-6-14(7-9-15)19-12-13-5-4-10-18-11-13/h13-15,18-19H,4-12H2,1-3H3,(H,20,21)
InChIKeySPJWANAGFORGNF-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-(piperidin-3-ylmethylamino)cyclopropyl]carbamate
CID 107237689
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
CID 107257390
tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 103715573
tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241583
tert-butyl N-[(3S)-azepan-3-yl]carbamate;tert-butyl N-[(3R)-azepan-3-yl]carbamate;tert-butyl N-[(4S)-azepan-4-yl]carbamate;tert-butyl N-[(4R)-azepan-4-yl]carbamate;tert-butyl N-[(3S)-piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;3-methylazetidine
CID 157216314
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
tert-butyl N-[4-(thiolan-2-ylmethylamino)cyclohexyl]carbamate
CID 80583721
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
tert-butyl N-[4-[2-(pyrrolidin-3-ylamino)ethoxy]cyclohexyl]carbamate
CID 107252441
N-cyclopropyl-2-(piperidin-3-ylmethylamino)acetamide
CID 80553600
tert-butyl 4-[(pyrrolidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate (CID 107241698) is tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCC2CCCNC2)CC1.
What is the InChIKey of tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate?
The InChIKey is SPJWANAGFORGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-15-8-6-14(7-9-15)19-12-13-5-4-10-18-11-13/h13-15,18-19H,4-12H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]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-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 107241698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).