1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid

C13H21F2NO2 — CID 114224333

IUPAC1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CC2CCC(F)(F)C2)CC1
InChIInChI=1S/C13H21F2NO2/c1-12(11(17)18)4-6-16(7-5-12)9-10-2-3-13(14,15)8-10/h10H,2-9H2,1H3,(H,17,18)
InChIKeyNJDZLCMQPVMGAQ-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.61
Rot. Bonds3

About 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid

1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 114224333) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID114224333
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CC2CCC(F)(F)C2)CC1
InChIInChI=1S/C13H21F2NO2/c1-12(11(17)18)4-6-16(7-5-12)9-10-2-3-13(14,15)8-10/h10H,2-9H2,1H3,(H,17,18)
InChIKeyNJDZLCMQPVMGAQ-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone
CID 100765989
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
1-[(3,3-difluorocyclopentyl)methyl]pyrrole-2-carboxylic acid
CID 169049400
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 114224211
1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 114224210
4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
CID 129348358
N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114224136
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid (CID 114224333) is 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(CC2CCC(F)(F)C2)CC1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is NJDZLCMQPVMGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-12(11(17)18)4-6-16(7-5-12)9-10-2-3-13(14,15)8-10/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid?
1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 261.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114224333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).