methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate

C15H22N2O2 — CID 115533762

IUPACmethyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ccc(CN)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)14-3-2-8-17(11-14)10-13-6-4-12(9-16)5-7-13/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeyRUQNSPYRHZJXRR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.53
Rot. Bonds4

About methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate

methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate (PubChem CID 115533762) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
PubChem CID115533762
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ccc(CN)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)14-3-2-8-17(11-14)10-13-6-4-12(9-16)5-7-13/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeyRUQNSPYRHZJXRR-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
CID 78966837
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730681
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
methyl 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-3-carboxylate
CID 112730539
(4-fluorophenyl)methyl (3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
CID 95731939
methyl 1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673422
methyl (3S)-1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673936

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate (CID 115533762) is methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate is COC(=O)C1CCCN(Cc2ccc(CN)cc2)C1.
What is the InChIKey of methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate?
The InChIKey is RUQNSPYRHZJXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-15(18)14-3-2-8-17(11-14)10-13-6-4-12(9-16)5-7-13/h4-7,14H,2-3,8-11,16H2,1H3.
What are the key properties of methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate?
methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate is sourced from PubChem (CID 115533762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).