1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid

C12H22N2O2 — CID 3162006

IUPAC1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
SMILESCN1CCC(N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C12H22N2O2/c1-13-7-4-11(5-8-13)14-6-2-3-10(9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyWCJHOGYHNWZGNL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.88
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid

1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 3162006) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
PubChem CID3162006
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
SMILESCN1CCC(N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C12H22N2O2/c1-13-7-4-11(5-8-13)14-6-2-3-10(9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyWCJHOGYHNWZGNL-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 45184033
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
4-methyl-1-(1-methylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65073020
1-(oxolan-3-yl)piperidine-3-carboxylic acid
CID 63557363
1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid
CID 165487197

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid (CID 3162006) is 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid is CN1CCC(N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is WCJHOGYHNWZGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-7-4-11(5-8-13)14-6-2-3-10(9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid?
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 3162006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).