benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate

C14H21N3O2 — CID 164535142

IUPACbenzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
SMILESNCC1(N)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H21N3O2/c15-10-14(16)7-4-8-17(11-14)13(18)19-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15-16H2
InChIKeyGLKFNPLZBAIGHQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.08
Rot. Bonds3

About benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate

benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate (PubChem CID 164535142) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
PubChem CID164535142
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namebenzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
SMILESNCC1(N)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H21N3O2/c15-10-14(16)7-4-8-17(11-14)13(18)19-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15-16H2
InChIKeyGLKFNPLZBAIGHQ-UHFFFAOYSA-N
XLogP1.08
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503
benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate
CID 98124909
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
CID 134129406
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
benzyl 3-(2-oxo-2-piperidin-1-ylethyl)-3-(piperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 71854460
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006

Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate (CID 164535142) is benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate is NCC1(N)CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate?
The InChIKey is GLKFNPLZBAIGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-10-14(16)7-4-8-17(11-14)13(18)19-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15-16H2.
What are the key properties of benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate?
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 164535142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).