1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol

C20H32N2O2 — CID 110887836

IUPAC1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESCC(C)N1CCN(CC(O)COC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H32N2O2/c1-16(2)22-12-10-21(11-13-22)14-18(23)15-24-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,16,18,20,23H,5,7,9-15H2,1-2H3
InChIKeyHXZJKFNGRIVDET-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.47
Rot. Bonds6

About 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol

1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (PubChem CID 110887836) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
PubChem CID110887836
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESCC(C)N1CCN(CC(O)COC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H32N2O2/c1-16(2)22-12-10-21(11-13-22)14-18(23)15-24-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,16,18,20,23H,5,7,9-15H2,1-2H3
InChIKeyHXZJKFNGRIVDET-UHFFFAOYSA-N
XLogP2.47
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95348112
1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone
CID 7775106
2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide
CID 110892663
ethyl (3R)-1-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperidine-3-carboxylate
CID 124721520
1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 17491350
1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110888300
1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 75432626
(2R)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 97157254
(2S)-1-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrrolidine-2-carboxamide
CID 124784992
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
5-[4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 166195527

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (CID 110887836) is 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The canonical SMILES for 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is CC(C)N1CCN(CC(O)COC2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The InChIKey is HXZJKFNGRIVDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16(2)22-12-10-21(11-13-22)14-18(23)15-24-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,16,18,20,23H,5,7,9-15H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is sourced from PubChem (CID 110887836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).