2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid

C15H28N2O2 — CID 106814208

IUPAC2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c18-15(19)11-16-10-13-6-5-9-17(12-13)14-7-3-1-2-4-8-14/h13-14,16H,1-12H2,(H,18,19)
InChIKeyQOYYRXAPRIXUKB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.10
Rot. Bonds5

About 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid

2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid (PubChem CID 106814208) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
PubChem CID106814208
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c18-15(19)11-16-10-13-6-5-9-17(12-13)14-7-3-1-2-4-8-14/h13-14,16H,1-12H2,(H,18,19)
InChIKeyQOYYRXAPRIXUKB-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid
CID 106813876
3-(1-cyclooctylpiperidin-3-yl)propanoic acid
CID 65071973
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid
CID 106813964
2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106814125
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
2-[[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727075
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
N-[(1-cyclohexylpiperidin-3-yl)methyl]propan-2-amine
CID 63240594

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid?
The IUPAC name of 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid (CID 106814208) is 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid is O=C(O)CNCC1CCCN(C2CCCCCC2)C1.
What is the InChIKey of 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid?
The InChIKey is QOYYRXAPRIXUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-15(19)11-16-10-13-6-5-9-17(12-13)14-7-3-1-2-4-8-14/h13-14,16H,1-12H2,(H,18,19).
What are the key properties of 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid?
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid has a molecular weight of 268.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid is sourced from PubChem (CID 106814208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).