2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride

C19H31Cl2N3O3 — CID 154920822

IUPAC2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C1CCNCC1
InChIInChI=1S/C19H29N3O3.2ClH/c23-17(16-3-5-20-6-4-16)13-22-9-7-21(8-10-22)12-15-1-2-18-19(11-15)25-14-24-18;;/h1-2,11,16-17,20,23H,3-10,12-14H2;2*1H
InChIKeyAYNBLWMSBCDLJA-UHFFFAOYSA-N
MW420.38 g/mol
LogP1.74
Rot. Bonds5

About 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride (PubChem CID 154920822) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride
PubChem CID154920822
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C1CCNCC1
InChIInChI=1S/C19H29N3O3.2ClH/c23-17(16-3-5-20-6-4-16)13-22-9-7-21(8-10-22)12-15-1-2-18-19(11-15)25-14-24-18;;/h1-2,11,16-17,20,23H,3-10,12-14H2;2*1H
InChIKeyAYNBLWMSBCDLJA-UHFFFAOYSA-N
XLogP1.74
TPSA57.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride 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-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1,3-benzodioxol-5-yloxy)propan-2-ol
CID 2884916
1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol
CID 82303720
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-2-amine
CID 22689438
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 7951830
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 30633819
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 51113622
2-[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidin-4-ylethanol
CID 155916018
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 2370092
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 2046958
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 17221250
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride (CID 154920822) is 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride is Cl.Cl.OC(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C1CCNCC1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride?
The InChIKey is AYNBLWMSBCDLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c23-17(16-3-5-20-6-4-16)13-22-9-7-21(8-10-22)12-15-1-2-18-19(11-15)25-14-24-18;;/h1-2,11,16-17,20,23H,3-10,12-14H2;2*1H.
What are the key properties of 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride?
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride is sourced from PubChem (CID 154920822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).