ethyl 4-benzylpiperidine-1-carboxylate

C15H21NO2 — CID 3561633

IUPACethyl 4-benzylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)16-10-8-14(9-11-16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyXZBSFDKGVZYHPW-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.10
Rot. Bonds3

About ethyl 4-benzylpiperidine-1-carboxylate

ethyl 4-benzylpiperidine-1-carboxylate (PubChem CID 3561633) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzylpiperidine-1-carboxylate
PubChem CID3561633
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 4-benzylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)16-10-8-14(9-11-16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyXZBSFDKGVZYHPW-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
1-chloropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 154187769
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 89480931
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
ethyl 4-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 110672480
ethyl 4-[3-(benzylamino)propyl]piperidine-1-carboxylate
CID 21241620
ethyl (2S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 97260919
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
CID 66689754

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-benzylpiperidine-1-carboxylate (CID 3561633) is ethyl 4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-benzylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-benzylpiperidine-1-carboxylate is CCOC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-benzylpiperidine-1-carboxylate?
The InChIKey is XZBSFDKGVZYHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-15(17)16-10-8-14(9-11-16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of ethyl 4-benzylpiperidine-1-carboxylate?
ethyl 4-benzylpiperidine-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 3561633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).