methyl 4-amino-1-benzylpiperidine-4-carboxylate

C14H20N2O2 — CID 3044632

IUPACmethyl 4-amino-1-benzylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-13(17)14(15)7-9-16(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3
InChIKeyGRSLQEBUAGDFDU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.15
Rot. Bonds3

About methyl 4-amino-1-benzylpiperidine-4-carboxylate

methyl 4-amino-1-benzylpiperidine-4-carboxylate (PubChem CID 3044632) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 4-amino-1-benzylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-benzylpiperidine-4-carboxylate
PubChem CID3044632
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 4-amino-1-benzylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-13(17)14(15)7-9-16(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3
InChIKeyGRSLQEBUAGDFDU-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
heptyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044646
methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 143488487
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
CID 88579615
CID 88579615
methyl 1-benzyl-4-[2-oxo-2-(N-phenylanilino)ethyl]piperidine-4-carboxylate
CID 170355482
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
methyl (E)-3-(1-benzyl-4-phenylpiperidin-4-yl)prop-2-enoate
CID 20608997
methyl 1-benzyl-4-(2,3,4,5,6-pentadeuterioanilino)piperidine-4-carboxylate
CID 171395102

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-benzylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-amino-1-benzylpiperidine-4-carboxylate (CID 3044632) is methyl 4-amino-1-benzylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-amino-1-benzylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-amino-1-benzylpiperidine-4-carboxylate is COC(=O)C1(N)CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 4-amino-1-benzylpiperidine-4-carboxylate?
The InChIKey is GRSLQEBUAGDFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13(17)14(15)7-9-16(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3.
What are the key properties of methyl 4-amino-1-benzylpiperidine-4-carboxylate?
methyl 4-amino-1-benzylpiperidine-4-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-benzylpiperidine-4-carboxylate is sourced from PubChem (CID 3044632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).