1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol

C19H32N2O3 — CID 110181732

IUPAC1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1cccc(N2CCN(CC(O)COCC(C)(C)C)CC2)c1
InChIInChI=1S/C19H32N2O3/c1-19(2,3)15-24-14-17(22)13-20-8-10-21(11-9-20)16-6-5-7-18(12-16)23-4/h5-7,12,17,22H,8-11,13-15H2,1-4H3
InChIKeyLMZQEACMBYGMLU-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.24
Rot. Bonds7

About 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol

1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 110181732) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
PubChem CID110181732
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1cccc(N2CCN(CC(O)COCC(C)(C)C)CC2)c1
InChIInChI=1S/C19H32N2O3/c1-19(2,3)15-24-14-17(22)13-20-8-10-21(11-9-20)16-6-5-7-18(12-16)23-4/h5-7,12,17,22H,8-11,13-15H2,1-4H3
InChIKeyLMZQEACMBYGMLU-UHFFFAOYSA-N
XLogP2.24
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butyl-2-methylphenoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 46557624
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
methyl 4-[(2R)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]benzoate
CID 25332616
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-(3-methoxyphenoxy)ethoxy]propan-2-ol
CID 30930104
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95389250
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 92946315
1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
CID 3846983
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol
CID 78782848
(2S)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7165456

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol (CID 110181732) is 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol is COc1cccc(N2CCN(CC(O)COCC(C)(C)C)CC2)c1.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is LMZQEACMBYGMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-19(2,3)15-24-14-17(22)13-20-8-10-21(11-9-20)16-6-5-7-18(12-16)23-4/h5-7,12,17,22H,8-11,13-15H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol?
1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 336.48 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 110181732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).