ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride

C15H22ClNO3 — CID 165176370

IUPACethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CN(Cc2ccccc2)CCC1O.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13-14,17H,2,8-11H2,1H3;1H
InChIKeyWVYFKTWPWPLTRM-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.85
Rot. Bonds4

About ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride

ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride (PubChem CID 165176370) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
PubChem CID165176370
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Nameethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CN(Cc2ccccc2)CCC1O.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13-14,17H,2,8-11H2,1H3;1H
InChIKeyWVYFKTWPWPLTRM-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
ethyl (3S,4S)-3-amino-1-benzylpiperidine-4-carboxylate;dihydrochloride
CID 155921053
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
CID 146401947
ethyl (3S,4R)-1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 70358112
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
3-O-benzyl 4-O-ethyl (3S,4S)-1-benzylpyrrolidine-3,4-dicarboxylate
CID 155095649
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289
sodium (3S,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 68688042
ethyl 1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylate
CID 57304770

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride (CID 165176370) is ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride is CCOC(=O)C1CN(Cc2ccccc2)CCC1O.Cl.
What is the InChIKey of ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride?
The InChIKey is WVYFKTWPWPLTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13-14,17H,2,8-11H2,1H3;1H.
What are the key properties of ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride?
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 165176370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).