[4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol

C25H35FN2O2 — CID 22005376

IUPAC[4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol
SMILESCCCCCc1c(CN2CCOCC2)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C25H35FN2O2/c1-4-5-6-7-21-23(16-28-12-14-30-15-13-28)27-25(18(2)3)22(17-29)24(21)19-8-10-20(26)11-9-19/h8-11,18,29H,4-7,12-17H2,1-3H3
InChIKeyYLTINRDNAQSQPF-UHFFFAOYSA-N
MW414.57 g/mol
LogP5.07
Rot. Bonds9

About [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol

[4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol (PubChem CID 22005376) has the molecular formula C25H35FN2O2 and a molecular weight of 414.57 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol
PubChem CID22005376
Molecular FormulaC25H35FN2O2
Molecular Weight414.57 g/mol
Exact Mass414.27
IUPAC Name[4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol
SMILESCCCCCc1c(CN2CCOCC2)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C25H35FN2O2/c1-4-5-6-7-21-23(16-28-12-14-30-15-13-28)27-25(18(2)3)22(17-29)24(21)19-8-10-20(26)11-9-19/h8-11,18,29H,4-7,12-17H2,1-3H3
InChIKeyYLTINRDNAQSQPF-UHFFFAOYSA-N
XLogP5.07
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol (CID 22005376) is [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol is CCCCCc1c(CN2CCOCC2)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol?
The InChIKey is YLTINRDNAQSQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O2/c1-4-5-6-7-21-23(16-28-12-14-30-15-13-28)27-25(18(2)3)22(17-29)24(21)19-8-10-20(26)11-9-19/h8-11,18,29H,4-7,12-17H2,1-3H3.
What are the key properties of [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol has a molecular weight of 414.57 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 22005376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).