(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine

C12H24N2 — CID 130522631

IUPAC(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
SMILESCC1CN(C[C@@H]2CCCCN2)CC1C
InChIInChI=1S/C12H24N2/c1-10-7-14(8-11(10)2)9-12-5-3-4-6-13-12/h10-13H,3-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyJFUMRMHMQZKGBG-MCIGGMRASA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds2

About (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine

(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine (PubChem CID 130522631) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
PubChem CID130522631
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
SMILESCC1CN(C[C@@H]2CCCCN2)CC1C
InChIInChI=1S/C12H24N2/c1-10-7-14(8-11(10)2)9-12-5-3-4-6-13-12/h10-13H,3-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyJFUMRMHMQZKGBG-MCIGGMRASA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-2-ylmethyl)-2,6-dimethylthiomorpholine
CID 64568587
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]azepane
CID 114547072
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 17389845
(2R,6R)-2,6-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 28597159
2,6-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819326
3-(azocan-2-ylmethyl)-3-azabicyclo[3.3.1]nonane
CID 114240424
3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
CID 106639663
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137
1-(azepan-2-ylmethyl)-4-methylazepane
CID 64570778
(2S,6R)-2,6-dimethyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141709

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine (CID 130522631) is (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine is CC1CN(C[C@@H]2CCCCN2)CC1C.
What is the InChIKey of (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine?
The InChIKey is JFUMRMHMQZKGBG-MCIGGMRASA-N. The full InChI is InChI=1S/C12H24N2/c1-10-7-14(8-11(10)2)9-12-5-3-4-6-13-12/h10-13H,3-9H2,1-2H3/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine?
(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 130522631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).