2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid

C16H29NO2 — CID 79605937

IUPAC2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
SMILESCC1(C)CCCC(N2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C16H29NO2/c1-16(2)8-3-4-14(5-9-16)17-10-6-13(7-11-17)12-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyDKNFWRNWUOVNKP-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds3

About 2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid

2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid (PubChem CID 79605937) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
PubChem CID79605937
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
SMILESCC1(C)CCCC(N2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C16H29NO2/c1-16(2)8-3-4-14(5-9-16)17-10-6-13(7-11-17)12-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyDKNFWRNWUOVNKP-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

2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid
CID 117013254
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
3-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]butanoic acid
CID 81047701
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
2-[1-(4,4-dimethylcyclohexyl)piperidin-2-yl]acetic acid
CID 65063549
2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid
CID 79606528
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65085464
2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199295
2-[4-(3,3-dimethylcyclohexyl)-1,4-diazepan-1-yl]acetic acid
CID 65061888
1-(4,4-dimethylcycloheptyl)-N,4-dimethylpiperidin-4-amine
CID 113282880
2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025539
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid (CID 79605937) is 2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid is CC1(C)CCCC(N2CCC(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid?
The InChIKey is DKNFWRNWUOVNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2)8-3-4-14(5-9-16)17-10-6-13(7-11-17)12-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid?
2-[1-(4,4-dimethylcycloheptyl)piperidin-4-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-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).