2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid

C14H24N2O2 — CID 65256104

IUPAC2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
SMILESCC(C)(C#N)CCCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H24N2O2/c1-14(2,11-15)6-4-8-16-7-3-5-12(10-16)9-13(17)18/h12H,3-10H2,1-2H3,(H,17,18)
InChIKeyWNBLZASLOMTMPF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.50
Rot. Bonds6

About 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid

2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid (PubChem CID 65256104) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
PubChem CID65256104
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
SMILESCC(C)(C#N)CCCN1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H24N2O2/c1-14(2,11-15)6-4-8-16-7-3-5-12(10-16)9-13(17)18/h12H,3-10H2,1-2H3,(H,17,18)
InChIKeyWNBLZASLOMTMPF-UHFFFAOYSA-N
XLogP2.50
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-cyano-3-methylbutyl)piperidin-3-yl]acetic acid
CID 65250925
2-[1-(4-cyano-4-methylpentyl)azetidin-3-yl]acetic acid
CID 65254962
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855
1-(4-cyano-4-methylpentyl)pyrrolidine-3-carboxylic acid
CID 65255418
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 65252040
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
6-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylhexanenitrile
CID 106713819

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid (CID 65256104) is 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid is CC(C)(C#N)CCCN1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid?
The InChIKey is WNBLZASLOMTMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,11-15)6-4-8-16-7-3-5-12(10-16)9-13(17)18/h12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid?
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid has a molecular weight of 252.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 65256104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).