1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride

C16H26Cl2N2O3-2 — CID 21236661

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
SMILESOCCN1CCN(CC(O)COCc2ccccc2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C16H26N2O3.2ClH/c19-11-10-17-6-8-18(9-7-17)12-16(20)14-21-13-15-4-2-1-3-5-15;;/h1-5,16,19-20H,6-14H2;2*1H/p-2
InChIKeyZGKDXQHRDVZOPV-UHFFFAOYSA-L
MW365.30 g/mol
LogP-5.82
Rot. Bonds8

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride (PubChem CID 21236661) has the molecular formula C16H26Cl2N2O3-2 and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
PubChem CID21236661
Molecular FormulaC16H26Cl2N2O3-2
Molecular Weight365.30 g/mol
Exact Mass364.13
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
SMILESOCCN1CCN(CC(O)COCc2ccccc2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C16H26N2O3.2ClH/c19-11-10-17-6-8-18(9-7-17)12-16(20)14-21-13-15-4-2-1-3-5-15;;/h1-5,16,19-20H,6-14H2;2*1H/p-2
InChIKeyZGKDXQHRDVZOPV-UHFFFAOYSA-L
XLogP-5.82
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 5-5.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride 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

1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
CID 46863744

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride (CID 21236661) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride is OCCN1CCN(CC(O)COCc2ccccc2)CC1.[Cl-].[Cl-].
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride?
The InChIKey is ZGKDXQHRDVZOPV-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H26N2O3.2ClH/c19-11-10-17-6-8-18(9-7-17)12-16(20)14-21-13-15-4-2-1-3-5-15;;/h1-5,16,19-20H,6-14H2;2*1H/p-2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride has a molecular weight of 365.30 g/mol, XLogP of -5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride is sourced from PubChem (CID 21236661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).