tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate

C18H34N2O2 — CID 103649308

IUPACtert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
SMILESCC(NC1CCCCC1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-14(19-16-10-6-5-7-11-16)15-9-8-12-20(13-15)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyLDCNSBLEIIEUDA-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.94
Rot. Bonds3

About tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate (PubChem CID 103649308) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
PubChem CID103649308
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
SMILESCC(NC1CCCCC1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-14(19-16-10-6-5-7-11-16)15-9-8-12-20(13-15)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyLDCNSBLEIIEUDA-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103729707
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 4-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103980938
tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 107247337
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 107247336
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
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CID 115976168

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate (CID 103649308) is tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate is CC(NC1CCCCC1)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is LDCNSBLEIIEUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14(19-16-10-6-5-7-11-16)15-9-8-12-20(13-15)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3.
What are the key properties of tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103649308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).