1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride

C19H26Cl2N2O2-2 — CID 21237713

IUPAC1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
SMILESCCN1CCN(CC(O)COc2ccc3ccccc3c2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C19H26N2O2.2ClH/c1-2-20-9-11-21(12-10-20)14-18(22)15-23-19-8-7-16-5-3-4-6-17(16)13-19;;/h3-8,13,18,22H,2,9-12,14-15H2,1H3;2*1H/p-2
InChIKeyCXHRBEKPMDBPCU-UHFFFAOYSA-L
MW385.33 g/mol
LogP-3.78
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride

1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride (PubChem CID 21237713) has the molecular formula C19H26Cl2N2O2-2 and a molecular weight of 385.33 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
PubChem CID21237713
Molecular FormulaC19H26Cl2N2O2-2
Molecular Weight385.33 g/mol
Exact Mass384.14
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
SMILESCCN1CCN(CC(O)COc2ccc3ccccc3c2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C19H26N2O2.2ClH/c1-2-20-9-11-21(12-10-20)14-18(22)15-23-19-8-7-16-5-3-4-6-17(16)13-19;;/h3-8,13,18,22H,2,9-12,14-15H2,1H3;2*1H/p-2
InChIKeyCXHRBEKPMDBPCU-UHFFFAOYSA-L
XLogP-3.78
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 5-3.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 24836839
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
CID 29404351
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 737489
1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882798

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride (CID 21237713) is 1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride is CCN1CCN(CC(O)COc2ccc3ccccc3c2)CC1.[Cl-].[Cl-].
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride?
The InChIKey is CXHRBEKPMDBPCU-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H26N2O2.2ClH/c1-2-20-9-11-21(12-10-20)14-18(22)15-23-19-8-7-16-5-3-4-6-17(16)13-19;;/h3-8,13,18,22H,2,9-12,14-15H2,1H3;2*1H/p-2.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride?
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride has a molecular weight of 385.33 g/mol, XLogP of -3.78, 6 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-naphthalen-2-yloxypropan-2-ol dichloride is sourced from PubChem (CID 21237713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).