methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

C20H30N2O3 — CID 134413006

IUPACmethyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(CC2CCCCCC2)C(O)C1
InChIInChI=1S/C20H30N2O3/c1-25-20(24)17-9-6-11-21-19(17)22-12-10-16(18(23)14-22)13-15-7-4-2-3-5-8-15/h6,9,11,15-16,18,23H,2-5,7-8,10,12-14H2,1H3
InChIKeyUCAWKKZKZSVWQJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.42
Rot. Bonds4

About methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate (PubChem CID 134413006) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
PubChem CID134413006
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namemethyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(CC2CCCCCC2)C(O)C1
InChIInChI=1S/C20H30N2O3/c1-25-20(24)17-9-6-11-21-19(17)22-12-10-16(18(23)14-22)13-15-7-4-2-3-5-8-15/h6,9,11,15-16,18,23H,2-5,7-8,10,12-14H2,1H3
InChIKeyUCAWKKZKZSVWQJ-UHFFFAOYSA-N
XLogP3.42
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)methyl]piperidin-1-yl]pyridine-3-carboxylate
CID 134413003
methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134417562
methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118263628
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55527421
methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate
CID 124672500
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate
CID 75522930
methyl 2-(5-bromo-4,4-difluoroazepan-1-yl)pyridine-3-carboxylate
CID 175582365
ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
CID 123284983
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid
CID 107070379

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate (CID 134413006) is methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1N1CCC(CC2CCCCCC2)C(O)C1.
What is the InChIKey of methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is UCAWKKZKZSVWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-25-20(24)17-9-6-11-21-19(17)22-12-10-16(18(23)14-22)13-15-7-4-2-3-5-8-15/h6,9,11,15-16,18,23H,2-5,7-8,10,12-14H2,1H3.
What are the key properties of methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 134413006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).