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

C15H28N2O2 — CID 119135088

IUPAC2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid
SMILESCC1CCN(CC2CCCN(C(C)C(=O)O)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-12-5-8-16(9-6-12)10-14-4-3-7-17(11-14)13(2)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyNTCABUITIDBDLJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.90
Rot. Bonds4

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

2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid (PubChem CID 119135088) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid
PubChem CID119135088
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid
SMILESCC1CCN(CC2CCCN(C(C)C(=O)O)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-12-5-8-16(9-6-12)10-14-4-3-7-17(11-14)13(2)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyNTCABUITIDBDLJ-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
(2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 100844185
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 100671853
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481
(2S)-2-amino-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-one;dihydrochloride
CID 119867618
1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119867570
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081454
(2R)-2-[(3S,4S)-3-(3-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propanoic acid
CID 59959101

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid (CID 119135088) is 2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid is CC1CCN(CC2CCCN(C(C)C(=O)O)C2)CC1.
What is the InChIKey of 2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid?
The InChIKey is NTCABUITIDBDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-5-8-16(9-6-12)10-14-4-3-7-17(11-14)13(2)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid?
2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119135088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).