1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol

C20H26FN5O — CID 72934998

IUPAC1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(N3CCN(Cc4cccc(F)c4)CC3)ncn2)CC1
InChIInChI=1S/C20H26FN5O/c21-17-3-1-2-16(12-17)14-24-8-10-26(11-9-24)20-13-19(22-15-23-20)25-6-4-18(27)5-7-25/h1-3,12-13,15,18,27H,4-11,14H2
InChIKeyUCNWKVBNWWIWRA-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.90
Rot. Bonds4

About 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol

1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 72934998) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID72934998
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(N3CCN(Cc4cccc(F)c4)CC3)ncn2)CC1
InChIInChI=1S/C20H26FN5O/c21-17-3-1-2-16(12-17)14-24-8-10-26(11-9-24)20-13-19(22-15-23-20)25-6-4-18(27)5-7-25/h1-3,12-13,15,18,27H,4-11,14H2
InChIKeyUCNWKVBNWWIWRA-UHFFFAOYSA-N
XLogP1.90
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 174565375
6-(4-benzylpiperazin-1-yl)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109352037
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
5-chloro-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 166794115
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 97038981

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol (CID 72934998) is 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(N3CCN(Cc4cccc(F)c4)CC3)ncn2)CC1.
What is the InChIKey of 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is UCNWKVBNWWIWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-17-3-1-2-16(12-17)14-24-8-10-26(11-9-24)20-13-19(22-15-23-20)25-6-4-18(27)5-7-25/h1-3,12-13,15,18,27H,4-11,14H2.
What are the key properties of 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 371.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72934998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).