tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate

C17H32N2O2 — CID 107256757

IUPACtert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1C(NCC2CCCC2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-13-15(18-12-14-8-5-6-9-14)10-7-11-19(13)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyYTNHZQUIFTUYEG-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate

tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate (PubChem CID 107256757) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
PubChem CID107256757
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1C(NCC2CCCC2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-13-15(18-12-14-8-5-6-9-14)10-7-11-19(13)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyYTNHZQUIFTUYEG-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2-cyclohexylethylamino)-2-methylpiperidine-1-carboxylate
CID 107256759
tert-butyl 3-(2-ethylbutylamino)-2-methylpiperidine-1-carboxylate
CID 107256768
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103730078
tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate
CID 154766337
tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
tert-butyl 3-[[(2-hydroxycyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103680177
tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate
CID 104954244
tert-butyl 2-methyl-3-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxylate
CID 104954266
2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
CID 107256740
tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 104955727
tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
CID 107256769

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate (CID 107256757) is tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate is CC1C(NCC2CCCC2)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate?
The InChIKey is YTNHZQUIFTUYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13-15(18-12-14-8-5-6-9-14)10-7-11-19(13)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate?
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107256757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).