benzyl 3-amino-3-ethylpiperidine-1-carboxylate

C15H22N2O2 — CID 165464075

IUPACbenzyl 3-amino-3-ethylpiperidine-1-carboxylate
SMILESCCC1(N)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-2-15(16)9-6-10-17(12-15)14(18)19-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,16H2,1H3
InChIKeyBDHPKIILCCGPJS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.53
Rot. Bonds3

About benzyl 3-amino-3-ethylpiperidine-1-carboxylate

benzyl 3-amino-3-ethylpiperidine-1-carboxylate (PubChem CID 165464075) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl 3-amino-3-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-amino-3-ethylpiperidine-1-carboxylate
PubChem CID165464075
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl 3-amino-3-ethylpiperidine-1-carboxylate
SMILESCCC1(N)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-2-15(16)9-6-10-17(12-15)14(18)19-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,16H2,1H3
InChIKeyBDHPKIILCCGPJS-UHFFFAOYSA-N
XLogP2.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
1-O-benzyl 3-O-methyl (3S)-3-ethylpiperidine-1,3-dicarboxylate
CID 97103844
1-O-benzyl 3-O-ethyl 3-fluoropiperidine-1,3-dicarboxylate
CID 59416859
3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
CID 134129406
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503

Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-3-ethylpiperidine-1-carboxylate?
The IUPAC name of benzyl 3-amino-3-ethylpiperidine-1-carboxylate (CID 165464075) is benzyl 3-amino-3-ethylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-amino-3-ethylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-amino-3-ethylpiperidine-1-carboxylate is CCC1(N)CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-amino-3-ethylpiperidine-1-carboxylate?
The InChIKey is BDHPKIILCCGPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-15(16)9-6-10-17(12-15)14(18)19-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,16H2,1H3.
What are the key properties of benzyl 3-amino-3-ethylpiperidine-1-carboxylate?
benzyl 3-amino-3-ethylpiperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-3-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 165464075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).