[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol

C19H24N2O2 — CID 110908637

IUPAC[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1
InChIInChI=1S/C19H24N2O2/c22-14-17-8-11-21(12-9-17)13-16-4-6-19(7-5-16)23-15-18-3-1-2-10-20-18/h1-7,10,17,22H,8-9,11-15H2
InChIKeyHRKWKCCJUFJDDU-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.86
Rot. Bonds6

About [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol

[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 110908637) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID110908637
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1
InChIInChI=1S/C19H24N2O2/c22-14-17-8-11-21(12-9-17)13-16-4-6-19(7-5-16)23-15-18-3-1-2-10-20-18/h1-7,10,17,22H,8-9,11-15H2
InChIKeyHRKWKCCJUFJDDU-UHFFFAOYSA-N
XLogP2.86
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129454913
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
(3S,4S)-4-(4-methylpiperazin-1-yl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129458176
[(3aS,7aR)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811558
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998
4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine
CID 126812748
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
[1-methyl-5-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 77093768
3-[(4,4-difluoropiperidin-1-yl)methyl]-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 132772030

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol (CID 110908637) is [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1.
What is the InChIKey of [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is HRKWKCCJUFJDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-14-17-8-11-21(12-9-17)13-16-4-6-19(7-5-16)23-15-18-3-1-2-10-20-18/h1-7,10,17,22H,8-9,11-15H2.
What are the key properties of [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol?
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 312.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110908637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).