benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate

C19H28N2O2 — CID 97169075

IUPACbenzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC[C@H]1CCCNC1CC1
InChIInChI=1S/C19H28N2O2/c22-19(23-15-16-7-2-1-3-8-16)21-14-5-4-9-18(21)10-6-13-20-17-11-12-17/h1-3,7-8,17-18,20H,4-6,9-15H2/t18-/m0/s1
InChIKeyPUVHJHXKDODAJZ-SFHVURJKSA-N
MW316.44 g/mol
LogP3.71
Rot. Bonds7

About benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate

benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate (PubChem CID 97169075) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
PubChem CID97169075
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namebenzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC[C@H]1CCCNC1CC1
InChIInChI=1S/C19H28N2O2/c22-19(23-15-16-7-2-1-3-8-16)21-14-5-4-9-18(21)10-6-13-20-17-11-12-17/h1-3,7-8,17-18,20H,4-6,9-15H2/t18-/m0/s1
InChIKeyPUVHJHXKDODAJZ-SFHVURJKSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.71
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

benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl (3S)-3-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
CID 97169068
benzyl (2R)-2-(4-oxoheptyl)pyrrolidine-1-carboxylate
CID 11834092
benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552602
tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
CID 97173194
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
CID 10956739
2-[(1-phenylmethoxycarbonylpiperidin-2-yl)methylsulfanyl]acetic acid
CID 66564501
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
CID 66563825
sodium (1-phenylmethoxycarbonylpiperidin-2-yl)methanesulfinate
CID 165454151

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate (CID 97169075) is benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC[C@H]1CCCNC1CC1.
What is the InChIKey of benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate?
The InChIKey is PUVHJHXKDODAJZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(23-15-16-7-2-1-3-8-16)21-14-5-4-9-18(21)10-6-13-20-17-11-12-17/h1-3,7-8,17-18,20H,4-6,9-15H2/t18-/m0/s1.
What are the key properties of benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate?
benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate has a molecular weight of 316.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 97169075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).