4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid

C16H30N2O2 — CID 119135528

IUPAC4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid
SMILESCC1CCCCN1CC1CCCN(CCCC(=O)O)C1
InChIInChI=1S/C16H30N2O2/c1-14-6-2-3-11-18(14)13-15-7-4-9-17(12-15)10-5-8-16(19)20/h14-15H,2-13H2,1H3,(H,19,20)
InChIKeyNYDCMMHNVRYGDR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.44
Rot. Bonds6

About 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid

4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid (PubChem CID 119135528) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid
PubChem CID119135528
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid
SMILESCC1CCCCN1CC1CCCN(CCCC(=O)O)C1
InChIInChI=1S/C16H30N2O2/c1-14-6-2-3-11-18(14)13-15-7-4-9-17(12-15)10-5-8-16(19)20/h14-15H,2-13H2,1H3,(H,19,20)
InChIKeyNYDCMMHNVRYGDR-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 129379773
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
(2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol
CID 98764196
4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid
CID 119135261
1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111165897
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
4-(3,4-dimethylpiperidin-1-yl)butanoic acid
CID 115873359
(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 95351485
(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119867647
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid (CID 119135528) is 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid is CC1CCCCN1CC1CCCN(CCCC(=O)O)C1.
What is the InChIKey of 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid?
The InChIKey is NYDCMMHNVRYGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14-6-2-3-11-18(14)13-15-7-4-9-17(12-15)10-5-8-16(19)20/h14-15H,2-13H2,1H3,(H,19,20).
What are the key properties of 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid?
4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 119135528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).