1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid

C17H21NO2 — CID 142898403

IUPAC1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC2=Cc3ccccc3CC2)CC1
InChIInChI=1S/C17H21NO2/c19-17(20)15-7-9-18(10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-4,11,15H,5-10,12H2,(H,19,20)
InChIKeyKOGYEUFTZJJNQQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.81
Rot. Bonds3

About 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid

1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 142898403) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid
PubChem CID142898403
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC2=Cc3ccccc3CC2)CC1
InChIInChI=1S/C17H21NO2/c19-17(20)15-7-9-18(10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-4,11,15H,5-10,12H2,(H,19,20)
InChIKeyKOGYEUFTZJJNQQ-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid
CID 79982598
1-[(4-phenylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035787
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 166237351
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
1-[(3-carboxyphenyl)methyl]piperidine-4-carboxylic acid
CID 82162737
1-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxylic acid
CID 82473036
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-[(2,3,6-trichlorophenyl)methyl]piperidine-4-carboxylic acid
CID 82183313
1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 50896517

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid (CID 142898403) is 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CC2=Cc3ccccc3CC2)CC1.
What is the InChIKey of 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is KOGYEUFTZJJNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(20)15-7-9-18(10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-4,11,15H,5-10,12H2,(H,19,20).
What are the key properties of 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid?
1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 142898403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).