(3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline

C15H22N2 — CID 169157167

IUPAC(3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@@H]1CCN(C[C@@H]2Cc3ccccc3CN2)C1
InChIInChI=1S/C15H22N2/c1-12-6-7-17(10-12)11-15-8-13-4-2-3-5-14(13)9-16-15/h2-5,12,15-16H,6-11H2,1H3/t12-,15+/m1/s1
InChIKeyMORKDIGQZCPPRU-DOMZBBRYSA-N
MW230.36 g/mol
LogP2.04
Rot. Bonds2

About (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline

(3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 169157167) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID169157167
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@@H]1CCN(C[C@@H]2Cc3ccccc3CN2)C1
InChIInChI=1S/C15H22N2/c1-12-6-7-17(10-12)11-15-8-13-4-2-3-5-14(13)9-16-15/h2-5,12,15-16H,6-11H2,1H3/t12-,15+/m1/s1
InChIKeyMORKDIGQZCPPRU-DOMZBBRYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline (CID 169157167) is (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline is C[C@@H]1CCN(C[C@@H]2Cc3ccccc3CN2)C1.
What is the InChIKey of (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MORKDIGQZCPPRU-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-6-7-17(10-12)11-15-8-13-4-2-3-5-14(13)9-16-15/h2-5,12,15-16H,6-11H2,1H3/t12-,15+/m1/s1.
What are the key properties of (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
(3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 230.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 169157167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).