3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol

C19H26N4O — CID 72861500

IUPAC3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol
SMILESCc1ccc(C(CCO)NC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H26N4O/c1-15-3-5-16(6-4-15)18(9-14-24)22-17-7-12-23(13-8-17)19-20-10-2-11-21-19/h2-6,10-11,17-18,22,24H,7-9,12-14H2,1H3
InChIKeyBOMHKQWKQBAWHN-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.47
Rot. Bonds6

About 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol

3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol (PubChem CID 72861500) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol
PubChem CID72861500
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol
SMILESCc1ccc(C(CCO)NC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H26N4O/c1-15-3-5-16(6-4-15)18(9-14-24)22-17-7-12-23(13-8-17)19-20-10-2-11-21-19/h2-6,10-11,17-18,22,24H,7-9,12-14H2,1H3
InChIKeyBOMHKQWKQBAWHN-UHFFFAOYSA-N
XLogP2.47
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol (CID 72861500) is 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol is Cc1ccc(C(CCO)NC2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol?
The InChIKey is BOMHKQWKQBAWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-3-5-16(6-4-15)18(9-14-24)22-17-7-12-23(13-8-17)19-20-10-2-11-21-19/h2-6,10-11,17-18,22,24H,7-9,12-14H2,1H3.
What are the key properties of 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol?
3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol has a molecular weight of 326.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 72861500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).