1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid

C14H17Cl2NO2 — CID 63137019

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2NO2/c1-14(13(18)19)5-2-6-17(9-14)8-10-3-4-11(15)12(16)7-10/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyHUBCIMSKXCNHAD-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.68
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid

1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63137019) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63137019
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2NO2/c1-14(13(18)19)5-2-6-17(9-14)8-10-3-4-11(15)12(16)7-10/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyHUBCIMSKXCNHAD-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068526
3-methyl-1-[(4-nitrophenyl)methyl]piperidine-3-carboxylic acid
CID 63136944
1-[(5-bromo-2-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114077323
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
1-[(3,5-dichloro-2-pyridinyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 167872013
1-[(3,4-dichlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148676
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114489088
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
1-[(5-bromothiophen-3-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137235
3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid
CID 63137246
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 124989292
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046108

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid (CID 63137019) is 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is HUBCIMSKXCNHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-14(13(18)19)5-2-6-17(9-14)8-10-3-4-11(15)12(16)7-10/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 302.20 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).