1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride

C19H38Cl2N2O2-2 — CID 21237566

IUPAC1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride
SMILESCCN1CCN(CC(O)COC2CC(C)CCC2C(C)C)CC1.[Cl-].[Cl-]
InChIInChI=1S/C19H38N2O2.2ClH/c1-5-20-8-10-21(11-9-20)13-17(22)14-23-19-12-16(4)6-7-18(19)15(2)3;;/h15-19,22H,5-14H2,1-4H3;2*1H/p-2
InChIKeyYEHAJYVPRCDDRO-UHFFFAOYSA-L
MW397.43 g/mol
LogP-3.53
Rot. Bonds7

About 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride

1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride (PubChem CID 21237566) has the molecular formula C19H38Cl2N2O2-2 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride
PubChem CID21237566
Molecular FormulaC19H38Cl2N2O2-2
Molecular Weight397.43 g/mol
Exact Mass396.23
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride
SMILESCCN1CCN(CC(O)COC2CC(C)CCC2C(C)C)CC1.[Cl-].[Cl-]
InChIInChI=1S/C19H38N2O2.2ClH/c1-5-20-8-10-21(11-9-20)13-17(22)14-23-19-12-16(4)6-7-18(19)15(2)3;;/h15-19,22H,5-14H2,1-4H3;2*1H/p-2
InChIKeyYEHAJYVPRCDDRO-UHFFFAOYSA-L
XLogP-3.53
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 5-3.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 11869272
(2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol
CID 7058396
(2R)-1-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol
CID 7058398
1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
CID 3415162
(2S)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 124721500
(2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 51629628
(2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 40592126
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 7386899
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
CID 3665847
(2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 6554921
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 92763848
1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one
CID 59563428

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride (CID 21237566) is 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride is CCN1CCN(CC(O)COC2CC(C)CCC2C(C)C)CC1.[Cl-].[Cl-].
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride?
The InChIKey is YEHAJYVPRCDDRO-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H38N2O2.2ClH/c1-5-20-8-10-21(11-9-20)13-17(22)14-23-19-12-16(4)6-7-18(19)15(2)3;;/h15-19,22H,5-14H2,1-4H3;2*1H/p-2.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride?
1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride has a molecular weight of 397.43 g/mol, XLogP of -3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride is sourced from PubChem (CID 21237566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).