(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline

C14H20N2 — CID 9170495

IUPAC(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CNC[C@@H]2N1CCCC1
InChIInChI=1S/C14H20N2/c1-11-4-5-13-12(8-11)9-15-10-14(13)16-6-2-3-7-16/h4-5,8,14-15H,2-3,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyRVAGOZHNJHTUDO-AWEZNQCLSA-N
MW216.33 g/mol
LogP2.24
Rot. Bonds1

About (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline

(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9170495) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID9170495
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CNC[C@@H]2N1CCCC1
InChIInChI=1S/C14H20N2/c1-11-4-5-13-12(8-11)9-15-10-14(13)16-6-2-3-7-16/h4-5,8,14-15H,2-3,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyRVAGOZHNJHTUDO-AWEZNQCLSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline 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

(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
(4S)-7-fluoro-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169066
(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169081
(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170181
(4R)-N,N-dimethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170189
(4S)-N,N-diethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170274
(4S)-4-(azepan-1-yl)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170280
(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone
CID 82584286
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169018
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
(4S)-7-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169669

Frequently Asked Questions

What is the IUPAC name of (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline (CID 9170495) is (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)CNC[C@@H]2N1CCCC1.
What is the InChIKey of (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RVAGOZHNJHTUDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-4-5-13-12(8-11)9-15-10-14(13)16-6-2-3-7-16/h4-5,8,14-15H,2-3,6-7,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 216.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9170495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).