6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

C25H25ClN2O3 — CID 89474378

IUPAC6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCC(OC(c3ccccc3)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C25H25ClN2O3/c26-20-11-9-19(10-12-20)24(18-5-2-1-3-6-18)31-22-13-15-28(16-14-22)17-21-7-4-8-23(27-21)25(29)30/h1-12,22,24H,13-17H2,(H,29,30)
InChIKeyBCWPTCYSUBTCER-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.20
Rot. Bonds7

About 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 89474378) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID89474378
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCC(OC(c3ccccc3)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C25H25ClN2O3/c26-20-11-9-19(10-12-20)24(18-5-2-1-3-6-18)31-22-13-15-28(16-14-22)17-21-7-4-8-23(27-21)25(29)30/h1-12,22,24H,13-17H2,(H,29,30)
InChIKeyBCWPTCYSUBTCER-UHFFFAOYSA-N
XLogP5.20
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89474376
6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474891
6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474909
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid
CID 89474416
6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 125445677
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 89474624
N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 14500898
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 89474378) is 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CN2CCC(OC(c3ccccc3)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is BCWPTCYSUBTCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c26-20-11-9-19(10-12-20)24(18-5-2-1-3-6-18)31-22-13-15-28(16-14-22)17-21-7-4-8-23(27-21)25(29)30/h1-12,22,24H,13-17H2,(H,29,30).
What are the key properties of 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 436.94 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 89474378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).