(6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid

C15H20ClNO3 — CID 155126957

IUPAC(6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid
SMILESCC1(C)CCC[C@H](C(O)c2cccc(Cl)c2)N1C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-15(2)8-4-7-12(17(15)14(19)20)13(18)10-5-3-6-11(16)9-10/h3,5-6,9,12-13,18H,4,7-8H2,1-2H3,(H,19,20)/t12-,13?/m1/s1
InChIKeySEOWOMDIQJZSRR-PZORYLMUSA-N
MW297.78 g/mol
LogP3.68
Rot. Bonds2

About (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid

(6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid (PubChem CID 155126957) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid
PubChem CID155126957
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name(6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid
SMILESCC1(C)CCC[C@H](C(O)c2cccc(Cl)c2)N1C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-15(2)8-4-7-12(17(15)14(19)20)13(18)10-5-3-6-11(16)9-10/h3,5-6,9,12-13,18H,4,7-8H2,1-2H3,(H,19,20)/t12-,13?/m1/s1
InChIKeySEOWOMDIQJZSRR-PZORYLMUSA-N
XLogP3.68
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid?
The IUPAC name of (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid (CID 155126957) is (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid.
What is the SMILES notation for (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid?
The canonical SMILES for (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid is CC1(C)CCC[C@H](C(O)c2cccc(Cl)c2)N1C(=O)O.
What is the InChIKey of (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid?
The InChIKey is SEOWOMDIQJZSRR-PZORYLMUSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-15(2)8-4-7-12(17(15)14(19)20)13(18)10-5-3-6-11(16)9-10/h3,5-6,9,12-13,18H,4,7-8H2,1-2H3,(H,19,20)/t12-,13?/m1/s1.
What are the key properties of (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid?
(6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid has a molecular weight of 297.78 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 155126957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).