(3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine

C23H32N4 — CID 129331056

IUPAC(3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine
SMILESCN1CC[C@@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccnc1
InChIInChI=1S/C23H32N4/c1-26-14-11-21(23(26)20-9-5-12-24-15-20)16-25-22-10-6-13-27(18-22)17-19-7-3-2-4-8-19/h2-5,7-9,12,15,21-23,25H,6,10-11,13-14,16-18H2,1H3/t21-,22+,23-/m0/s1
InChIKeyBQDYHPZLDQMYCY-ZRBLBEILSA-N
MW364.54 g/mol
LogP3.33
Rot. Bonds6

About (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine

(3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine (PubChem CID 129331056) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine
PubChem CID129331056
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name(3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine
SMILESCN1CC[C@@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccnc1
InChIInChI=1S/C23H32N4/c1-26-14-11-21(23(26)20-9-5-12-24-15-20)16-25-22-10-6-13-27(18-22)17-19-7-3-2-4-8-19/h2-5,7-9,12,15,21-23,25H,6,10-11,13-14,16-18H2,1H3/t21-,22+,23-/m0/s1
InChIKeyBQDYHPZLDQMYCY-ZRBLBEILSA-N
XLogP3.33
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine with MolForge

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Related Compounds

1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997727
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997330
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine
CID 167757288
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine
CID 128967418
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107417487
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine
CID 128969041

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine (CID 129331056) is (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine is CN1CC[C@@H](CN[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccnc1.
What is the InChIKey of (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine?
The InChIKey is BQDYHPZLDQMYCY-ZRBLBEILSA-N. The full InChI is InChI=1S/C23H32N4/c1-26-14-11-21(23(26)20-9-5-12-24-15-20)16-25-22-10-6-13-27(18-22)17-19-7-3-2-4-8-19/h2-5,7-9,12,15,21-23,25H,6,10-11,13-14,16-18H2,1H3/t21-,22+,23-/m0/s1.
What are the key properties of (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine?
(3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine has a molecular weight of 364.54 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 129331056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).