4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine

C18H21ClN2O — CID 141404877

IUPAC4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine
SMILESCOc1cc(N2CCC(Cc3ccccc3)CC2)c(Cl)cn1
InChIInChI=1S/C18H21ClN2O/c1-22-18-12-17(16(19)13-20-18)21-9-7-15(8-10-21)11-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3
InChIKeyGYWUBBGCQHOKHX-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.20
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine

4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine (PubChem CID 141404877) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine
PubChem CID141404877
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine
SMILESCOc1cc(N2CCC(Cc3ccccc3)CC2)c(Cl)cn1
InChIInChI=1S/C18H21ClN2O/c1-22-18-12-17(16(19)13-20-18)21-9-7-15(8-10-21)11-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3
InChIKeyGYWUBBGCQHOKHX-UHFFFAOYSA-N
XLogP4.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
CID 114478453
5-chloro-2-methoxy-4-[4-[4-(3-methylpyrrolidin-1-yl)phenoxy]piperidin-1-yl]pyridine
CID 134405112
2-[(2S,3R)-1-[6-[1-(5-chloro-2-methoxy-4-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methylpyrrolidin-2-yl]acetic acid
CID 134411096
3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 28818263
4-benzyl-1-methoxypiperidine
CID 146666995
4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
CID 105066691
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine (CID 141404877) is 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine is COc1cc(N2CCC(Cc3ccccc3)CC2)c(Cl)cn1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine?
The InChIKey is GYWUBBGCQHOKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-22-18-12-17(16(19)13-20-18)21-9-7-15(8-10-21)11-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine?
4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine has a molecular weight of 316.83 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-5-chloro-2-methoxypyridine is sourced from PubChem (CID 141404877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).