tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate

C19H30N2O2 — CID 175261637

IUPACtert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NCCCc2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-8-12-17(15-21)20-13-7-11-16-9-5-4-6-10-16/h4-6,9-10,17,20H,7-8,11-15H2,1-3H3/t17-/m1/s1
InChIKeyDBSUELACPLPWKM-QGZVFWFLSA-N
MW318.46 g/mol
LogP3.61
Rot. Bonds5

About tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate

tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate (PubChem CID 175261637) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate
PubChem CID175261637
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NCCCc2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-8-12-17(15-21)20-13-7-11-16-9-5-4-6-10-16/h4-6,9-10,17,20H,7-8,11-15H2,1-3H3/t17-/m1/s1
InChIKeyDBSUELACPLPWKM-QGZVFWFLSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-3-[2-(2-bromophenyl)ethylamino]piperidine-1-carboxylate
CID 97056740
tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
CID 126709456
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1-carboxylate
CID 68754722
tert-butyl 3-[2-[3,3-diphenylpropyl(phenylmethoxycarbonyl)amino]ethylamino]piperidine-1-carboxylate
CID 59728992
tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
CID 103949538
tert-butyl (3R)-3-[(1-phenylmethoxycarbonylpiperidin-4-yl)methylamino]piperidine-1-carboxylate
CID 170459926
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl (3R)-3-(pentylamino)azepane-1-carboxylate
CID 164579167
tert-butyl (3R)-3-[(3-bromophenyl)methylamino]piperidine-1-carboxylate
CID 53256485
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate (CID 175261637) is tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](NCCCc2ccccc2)C1.
What is the InChIKey of tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate?
The InChIKey is DBSUELACPLPWKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-8-12-17(15-21)20-13-7-11-16-9-5-4-6-10-16/h4-6,9-10,17,20H,7-8,11-15H2,1-3H3/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate?
tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate is sourced from PubChem (CID 175261637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).