methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate

C16H24N2O2 — CID 63382677

IUPACmethyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(CCN)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)14-8-11-18(12-9-14)15(7-10-17)13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3
InChIKeyYDKUDARJTQNQLX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds5

About methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate

methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate (PubChem CID 63382677) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
PubChem CID63382677
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(CCN)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)14-8-11-18(12-9-14)15(7-10-17)13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3
InChIKeyYDKUDARJTQNQLX-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494242
methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate
CID 63382676
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
CID 113417035
methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate
CID 63382675
methyl 1-(2-chloro-2-phenylacetyl)piperidine-4-carboxylate
CID 43245512
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
1-[2-amino-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890916
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate (CID 63382677) is methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(CCN)c2ccccc2)CC1.
What is the InChIKey of methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate?
The InChIKey is YDKUDARJTQNQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-16(19)14-8-11-18(12-9-14)15(7-10-17)13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3.
What are the key properties of methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate?
methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate is sourced from PubChem (CID 63382677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).