2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid

C14H28N2O2 — CID 64660796

IUPAC2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCCCC1CNCC(C)C
InChIInChI=1S/C14H28N2O2/c1-4-13(14(17)18)16-8-6-5-7-12(16)10-15-9-11(2)3/h11-13,15H,4-10H2,1-3H3,(H,17,18)
InChIKeyNCBGNMHDQQZMII-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.95
Rot. Bonds7

About 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid

2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid (PubChem CID 64660796) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid
PubChem CID64660796
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCCCC1CNCC(C)C
InChIInChI=1S/C14H28N2O2/c1-4-13(14(17)18)16-8-6-5-7-12(16)10-15-9-11(2)3/h11-13,15H,4-10H2,1-3H3,(H,17,18)
InChIKeyNCBGNMHDQQZMII-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanoic acid
CID 64660794
2-[2-(propylaminomethyl)piperidin-1-yl]propanoic acid
CID 63847846
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63847130
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63854605
2-(2-carbamothioylpiperidin-1-yl)butanoic acid
CID 64662154
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63847464
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63855304
2-[2-(2-oxopropyl)piperidin-1-yl]pentanoic acid
CID 83041043
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide
CID 55256655
N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 63528195

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid?
The IUPAC name of 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid (CID 64660796) is 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid is CCC(C(=O)O)N1CCCCC1CNCC(C)C.
What is the InChIKey of 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid?
The InChIKey is NCBGNMHDQQZMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-13(14(17)18)16-8-6-5-7-12(16)10-15-9-11(2)3/h11-13,15H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid?
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 64660796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).