[4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone

C29H41N3O3 — CID 10719483

IUPAC[4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone
SMILESCC(C)Oc1ccccc1N1CCN(CCCC(O)c2ccc(C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C29H41N3O3/c1-23(2)35-28-11-5-4-9-26(28)31-21-19-30(20-22-31)16-8-10-27(33)24-12-14-25(15-13-24)29(34)32-17-6-3-7-18-32/h4-5,9,11-15,23,27,33H,3,6-8,10,16-22H2,1-2H3
InChIKeyYRTQVPKBNMSDJD-UHFFFAOYSA-N
MW479.67 g/mol
LogP4.74
Rot. Bonds9

About [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone

[4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 10719483) has the molecular formula C29H41N3O3 and a molecular weight of 479.67 g/mol. Its IUPAC name is [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone
PubChem CID10719483
Molecular FormulaC29H41N3O3
Molecular Weight479.67 g/mol
Exact Mass479.31
IUPAC Name[4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone
SMILESCC(C)Oc1ccccc1N1CCN(CCCC(O)c2ccc(C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C29H41N3O3/c1-23(2)35-28-11-5-4-9-26(28)31-21-19-30(20-22-31)16-8-10-27(33)24-12-14-25(15-13-24)29(34)32-17-6-3-7-18-32/h4-5,9,11-15,23,27,33H,3,6-8,10,16-22H2,1-2H3
InChIKeyYRTQVPKBNMSDJD-UHFFFAOYSA-N
XLogP4.74
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077620
1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10520288
(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077645
3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 11430348
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
6-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;hydrochloride
CID 10434667
2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]acetamide;hydroiodide
CID 10119252
N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 163493568
12-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-12-azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione;hydrochloride
CID 11670583
butanedioic acid;5-fluoro-6-hydroxy-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 15985805
1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10644841
1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol
CID 10781910

Frequently Asked Questions

What is the IUPAC name of [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone (CID 10719483) is [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone is CC(C)Oc1ccccc1N1CCN(CCCC(O)c2ccc(C(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is YRTQVPKBNMSDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O3/c1-23(2)35-28-11-5-4-9-26(28)31-21-19-30(20-22-31)16-8-10-27(33)24-12-14-25(15-13-24)29(34)32-17-6-3-7-18-32/h4-5,9,11-15,23,27,33H,3,6-8,10,16-22H2,1-2H3.
What are the key properties of [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone?
[4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 479.67 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10719483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).