N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride

C19H27ClN4 — CID 161211236

IUPACN-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride
SMILESCl.c1cc2cc(N[C@@H]3CCCN(C[C@H]4CCCN4)C3)ccc2cn1
InChIInChI=1S/C19H26N4.ClH/c1-3-18(21-8-1)13-23-10-2-4-19(14-23)22-17-6-5-16-12-20-9-7-15(16)11-17;/h5-7,9,11-12,18-19,21-22H,1-4,8,10,13-14H2;1H/t18-,19-;/m1./s1
InChIKeyDVGZEDBBNRGVGU-STYNFMPRSA-N
MW346.91 g/mol
LogP3.28
Rot. Bonds4

About N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride

N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride (PubChem CID 161211236) has the molecular formula C19H27ClN4 and a molecular weight of 346.91 g/mol. Its IUPAC name is N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride
PubChem CID161211236
Molecular FormulaC19H27ClN4
Molecular Weight346.91 g/mol
Exact Mass346.19
IUPAC NameN-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride
SMILESCl.c1cc2cc(N[C@@H]3CCCN(C[C@H]4CCCN4)C3)ccc2cn1
InChIInChI=1S/C19H26N4.ClH/c1-3-18(21-8-1)13-23-10-2-4-19(14-23)22-17-6-5-16-12-20-9-7-15(16)11-17;/h5-7,9,11-12,18-19,21-22H,1-4,8,10,13-14H2;1H/t18-,19-;/m1./s1
InChIKeyDVGZEDBBNRGVGU-STYNFMPRSA-N
XLogP3.28
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride 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 N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride?
The IUPAC name of N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride (CID 161211236) is N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride.
What is the SMILES notation for N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride?
The canonical SMILES for N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride is Cl.c1cc2cc(N[C@@H]3CCCN(C[C@H]4CCCN4)C3)ccc2cn1.
What is the InChIKey of N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride?
The InChIKey is DVGZEDBBNRGVGU-STYNFMPRSA-N. The full InChI is InChI=1S/C19H26N4.ClH/c1-3-18(21-8-1)13-23-10-2-4-19(14-23)22-17-6-5-16-12-20-9-7-15(16)11-17;/h5-7,9,11-12,18-19,21-22H,1-4,8,10,13-14H2;1H/t18-,19-;/m1./s1.
What are the key properties of N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride?
N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride has a molecular weight of 346.91 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride is sourced from PubChem (CID 161211236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).