tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate

C18H34N2O3 — CID 154766337

IUPACtert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate
SMILESCC1C(NCCCC2(O)CCC2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-14-15(19-12-7-11-18(22)9-6-10-18)8-5-13-20(14)16(21)23-17(2,3)4/h14-15,19,22H,5-13H2,1-4H3
InChIKeyGOZVVRSJRNMKPT-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.06
Rot. Bonds5

About tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate

tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate (PubChem CID 154766337) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate
PubChem CID154766337
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate
SMILESCC1C(NCCCC2(O)CCC2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-14-15(19-12-7-11-18(22)9-6-10-18)8-5-13-20(14)16(21)23-17(2,3)4/h14-15,19,22H,5-13H2,1-4H3
InChIKeyGOZVVRSJRNMKPT-UHFFFAOYSA-N
XLogP3.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(2-cyclohexylethylamino)-2-methylpiperidine-1-carboxylate
CID 107256759
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl 3-(2-ethylbutylamino)-2-methylpiperidine-1-carboxylate
CID 107256768
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 129400144
tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
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-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate (CID 154766337) is tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate is CC1C(NCCCC2(O)CCC2)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate?
The InChIKey is GOZVVRSJRNMKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-14-15(19-12-7-11-18(22)9-6-10-18)8-5-13-20(14)16(21)23-17(2,3)4/h14-15,19,22H,5-13H2,1-4H3.
What are the key properties of tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate?
tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(1-hydroxycyclobutyl)propylamino]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 154766337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).