[4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol

C18H22N2O — CID 95825449

IUPAC[4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol
SMILESCN1CCC(c2ccnc(-c3ccc(CO)cc3)c2)CC1
InChIInChI=1S/C18H22N2O/c1-20-10-7-15(8-11-20)17-6-9-19-18(12-17)16-4-2-14(13-21)3-5-16/h2-6,9,12,15,21H,7-8,10-11,13H2,1H3
InChIKeyKSRXYBCPGNYFFQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.05
Rot. Bonds3

About [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol

[4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol (PubChem CID 95825449) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol
PubChem CID95825449
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol
SMILESCN1CCC(c2ccnc(-c3ccc(CO)cc3)c2)CC1
InChIInChI=1S/C18H22N2O/c1-20-10-7-15(8-11-20)17-6-9-19-18(12-17)16-4-2-14(13-21)3-5-16/h2-6,9,12,15,21H,7-8,10-11,13H2,1H3
InChIKeyKSRXYBCPGNYFFQ-UHFFFAOYSA-N
XLogP3.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol (CID 95825449) is [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol is CN1CCC(c2ccnc(-c3ccc(CO)cc3)c2)CC1.
What is the InChIKey of [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol?
The InChIKey is KSRXYBCPGNYFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20-10-7-15(8-11-20)17-6-9-19-18(12-17)16-4-2-14(13-21)3-5-16/h2-6,9,12,15,21H,7-8,10-11,13H2,1H3.
What are the key properties of [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol?
[4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol has a molecular weight of 282.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol is sourced from PubChem (CID 95825449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).