[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone

C26H35N3O2 — CID 131901997

IUPAC[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCC(C(O)CCc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C26H35N3O2/c1-27-17-19-28(20-18-27)24-10-8-23(9-11-24)26(31)29-15-13-22(14-16-29)25(30)12-7-21-5-3-2-4-6-21/h2-6,8-11,22,25,30H,7,12-20H2,1H3
InChIKeyMPMWLBYDYUPBAK-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.28
Rot. Bonds6

About [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone

[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone (PubChem CID 131901997) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
PubChem CID131901997
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCC(C(O)CCc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C26H35N3O2/c1-27-17-19-28(20-18-27)24-10-8-23(9-11-24)26(31)29-15-13-22(14-16-29)25(30)12-7-21-5-3-2-4-6-21/h2-6,8-11,22,25,30H,7,12-20H2,1H3
InChIKeyMPMWLBYDYUPBAK-UHFFFAOYSA-N
XLogP3.28
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone with MolForge

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Related Compounds

(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 131941564
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 134697917
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 126423568
4-(1-hydroxy-3-phenylpropyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 119058706
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834
5-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 70756218
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide
CID 131893172
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 110022880
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The IUPAC name of [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone (CID 131901997) is [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The canonical SMILES for [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone is CN1CCN(c2ccc(C(=O)N3CCC(C(O)CCc4ccccc4)CC3)cc2)CC1.
What is the InChIKey of [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The InChIKey is MPMWLBYDYUPBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-27-17-19-28(20-18-27)24-10-8-23(9-11-24)26(31)29-15-13-22(14-16-29)25(30)12-7-21-5-3-2-4-6-21/h2-6,8-11,22,25,30H,7,12-20H2,1H3.
What are the key properties of [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone has a molecular weight of 421.59 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone is sourced from PubChem (CID 131901997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).