2-(1-cycloheptylpiperidin-3-yl)acetic acid

C14H25NO2 — CID 65060458

IUPAC2-(1-cycloheptylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C14H25NO2/c16-14(17)10-12-6-5-9-15(11-12)13-7-3-1-2-4-8-13/h12-13H,1-11H2,(H,16,17)
InChIKeyDABODQRFCIUWNS-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.90
Rot. Bonds3

About 2-(1-cycloheptylpiperidin-3-yl)acetic acid

2-(1-cycloheptylpiperidin-3-yl)acetic acid (PubChem CID 65060458) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(1-cycloheptylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cycloheptylpiperidin-3-yl)acetic acid
PubChem CID65060458
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(1-cycloheptylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C14H25NO2/c16-14(17)10-12-6-5-9-15(11-12)13-7-3-1-2-4-8-13/h12-13H,1-11H2,(H,16,17)
InChIKeyDABODQRFCIUWNS-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
3-(1-cyclooctylpiperidin-3-yl)propanoic acid
CID 65071973
2-[1-(thiolan-3-yl)piperidin-3-yl]acetic acid
CID 65060102
2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid
CID 65059993
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
2-[1-(2-oxoazepan-4-yl)piperidin-3-yl]acetic acid
CID 63888494
2-(1-cyclopropylpiperidin-3-yl)acetamide
CID 175926239
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
2-(1-cyclooctylpyrrolidin-3-yl)acetamide;methane
CID 173136437
2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
CID 65060205

Frequently Asked Questions

What is the IUPAC name of 2-(1-cycloheptylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1-cycloheptylpiperidin-3-yl)acetic acid (CID 65060458) is 2-(1-cycloheptylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cycloheptylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-cycloheptylpiperidin-3-yl)acetic acid is O=C(O)CC1CCCN(C2CCCCCC2)C1.
What is the InChIKey of 2-(1-cycloheptylpiperidin-3-yl)acetic acid?
The InChIKey is DABODQRFCIUWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-14(17)10-12-6-5-9-15(11-12)13-7-3-1-2-4-8-13/h12-13H,1-11H2,(H,16,17).
What are the key properties of 2-(1-cycloheptylpiperidin-3-yl)acetic acid?
2-(1-cycloheptylpiperidin-3-yl)acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cycloheptylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 65060458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).