2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid

C16H29NO2 — CID 117025539

IUPAC2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid
SMILESCC1(C)CCN(C2CCCCCC2)CC1CC(=O)O
InChIInChI=1S/C16H29NO2/c1-16(2)9-10-17(12-13(16)11-15(18)19)14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyQCGAMWVAOORVOV-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds3

About 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid

2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid (PubChem CID 117025539) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid
PubChem CID117025539
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid
SMILESCC1(C)CCN(C2CCCCCC2)CC1CC(=O)O
InChIInChI=1S/C16H29NO2/c1-16(2)9-10-17(12-13(16)11-15(18)19)14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyQCGAMWVAOORVOV-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexyl-4,4-dimethylpiperidin-3-yl)-N-methylmethanamine
CID 117025891
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid
CID 117013254
2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025525
2-(1-butyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025523
2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
CID 79605937
(1-cyclopentyl-4-methylpiperidin-4-yl)methanol
CID 83915889
1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
CID 84667097
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 117017329

Frequently Asked Questions

What is the IUPAC name of 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid (CID 117025539) is 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid is CC1(C)CCN(C2CCCCCC2)CC1CC(=O)O.
What is the InChIKey of 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid?
The InChIKey is QCGAMWVAOORVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2)9-10-17(12-13(16)11-15(18)19)14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid?
2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 117025539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).