2-[(3R)-1-benzylpiperidin-3-yl]acetic acid

C14H19NO2 — CID 86313785

IUPAC2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c16-14(17)9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,17)/t13-/m1/s1
InChIKeyQJHMRAUNAZTRTG-CYBMUJFWSA-N
MW233.31 g/mol
LogP2.37
Rot. Bonds4

About 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid

2-[(3R)-1-benzylpiperidin-3-yl]acetic acid (PubChem CID 86313785) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
PubChem CID86313785
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c16-14(17)9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,17)/t13-/m1/s1
InChIKeyQJHMRAUNAZTRTG-CYBMUJFWSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-yl]acetic acid
CID 65059942
2-[1-[(4-methoxycarbonylphenyl)methyl]piperidin-3-yl]acetic acid
CID 65060247
3-[(3S)-1-benzylpiperidin-3-yl]propanal
CID 129365350
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111
2-[[(3S)-1-benzylpiperidin-3-yl]methyl]-2-hydroxypropanedioic acid
CID 174346331
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]acetic acid
CID 62689773
2-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]acetic acid
CID 62689776
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]acetic acid
CID 65059851
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 79702644

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid (CID 86313785) is 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid is O=C(O)C[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid?
The InChIKey is QJHMRAUNAZTRTG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(17)9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,17)/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid?
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-benzylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 86313785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).