(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride

C14H22Cl2N2 — CID 169157721

IUPAC(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CN[C@H](CN1CCCC1)C2
InChIInChI=1S/C14H20N2.2ClH/c1-2-6-13-10-15-14(9-12(13)5-1)11-16-7-3-4-8-16;;/h1-2,5-6,14-15H,3-4,7-11H2;2*1H/t14-;;/m0../s1
InChIKeyCVAMIXBAPHICRR-UTLKBRERSA-N
MW289.25 g/mol
LogP2.64
Rot. Bonds2

About (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride

(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride (PubChem CID 169157721) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride.

Molecular Properties

Compound Name(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
PubChem CID169157721
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CN[C@H](CN1CCCC1)C2
InChIInChI=1S/C14H20N2.2ClH/c1-2-6-13-10-15-14(9-12(13)5-1)11-16-7-3-4-8-16;;/h1-2,5-6,14-15H,3-4,7-11H2;2*1H/t14-;;/m0../s1
InChIKeyCVAMIXBAPHICRR-UTLKBRERSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride?
The IUPAC name of (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride (CID 169157721) is (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride.
What is the SMILES notation for (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride?
The canonical SMILES for (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride is Cl.Cl.c1ccc2c(c1)CN[C@H](CN1CCCC1)C2.
What is the InChIKey of (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride?
The InChIKey is CVAMIXBAPHICRR-UTLKBRERSA-N. The full InChI is InChI=1S/C14H20N2.2ClH/c1-2-6-13-10-15-14(9-12(13)5-1)11-16-7-3-4-8-16;;/h1-2,5-6,14-15H,3-4,7-11H2;2*1H/t14-;;/m0../s1.
What are the key properties of (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride?
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride has a molecular weight of 289.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline;dihydrochloride is sourced from PubChem (CID 169157721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).