tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate

C18H35N3O2 — CID 103720174

IUPACtert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCN2CCCCC2)C1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)20-16-9-7-8-15(14-16)19-10-13-21-11-5-4-6-12-21/h15-16,19H,4-14H2,1-3H3,(H,20,22)
InChIKeyHTJUUHZEMBSXFV-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.90
Rot. Bonds5

About tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate

tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate (PubChem CID 103720174) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
PubChem CID103720174
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCN2CCCCC2)C1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)20-16-9-7-8-15(14-16)19-10-13-21-11-5-4-6-12-21/h15-16,19H,4-14H2,1-3H3,(H,20,22)
InChIKeyHTJUUHZEMBSXFV-UHFFFAOYSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate
CID 103719839
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
CID 83009142
tert-butyl N-[3-(2-cyanoethylamino)cyclohexyl]carbamate
CID 79458920
tert-butyl N-[3-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexyl]carbamate
CID 106024119
tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
CID 103720166
tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103720230
tert-butyl N-[3-[[2-(methylamino)-2-oxoethyl]amino]cyclohexyl]carbamate
CID 79459021
tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate
CID 97056058

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate (CID 103720174) is tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NCCN2CCCCC2)C1.
What is the InChIKey of tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate?
The InChIKey is HTJUUHZEMBSXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)20-16-9-7-8-15(14-16)19-10-13-21-11-5-4-6-12-21/h15-16,19H,4-14H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate?
tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103720174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).