(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride

C10H22Cl2N2 — CID 67315320

IUPAC(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
SMILESC[C@H]1CNCC[C@H]1N1CCCC1.Cl.Cl
InChIInChI=1S/C10H20N2.2ClH/c1-9-8-11-5-4-10(9)12-6-2-3-7-12;;/h9-11H,2-8H2,1H3;2*1H/t9-,10+;;/m0../s1
InChIKeyAIWWJXISDQYETG-JXGSBULDSA-N
MW241.21 g/mol
LogP1.92
Rot. Bonds1

About (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride

(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride (PubChem CID 67315320) has the molecular formula C10H22Cl2N2 and a molecular weight of 241.21 g/mol. Its IUPAC name is (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride.

Molecular Properties

Compound Name(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
PubChem CID67315320
Molecular FormulaC10H22Cl2N2
Molecular Weight241.21 g/mol
Exact Mass240.12
IUPAC Name(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
SMILESC[C@H]1CNCC[C@H]1N1CCCC1.Cl.Cl
InChIInChI=1S/C10H20N2.2ClH/c1-9-8-11-5-4-10(9)12-6-2-3-7-12;;/h9-11H,2-8H2,1H3;2*1H/t9-,10+;;/m0../s1
InChIKeyAIWWJXISDQYETG-JXGSBULDSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
CID 67315323
3-methyl-4-piperidin-1-ylpiperidine
CID 18457680
1-(4-methylpyrrolidin-3-yl)azepane
CID 81458651
(3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine
CID 154809509
4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylpiperidine
CID 103534210
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
N,N,4-trimethyl-1-(3-methylpiperidin-4-yl)pyrrolidin-3-amine
CID 81465521
4-[4-[(3R,4S)-3-methylpiperidin-4-yl]piperazin-1-yl]benzonitrile
CID 70060159
4-[4-(3-methylpiperidin-4-yl)piperazin-1-yl]benzonitrile
CID 70060153
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
1-[(2R)-2-methylcyclopentyl]piperidine
CID 59715874

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride?
The IUPAC name of (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride (CID 67315320) is (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride.
What is the SMILES notation for (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride?
The canonical SMILES for (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride is C[C@H]1CNCC[C@H]1N1CCCC1.Cl.Cl.
What is the InChIKey of (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride?
The InChIKey is AIWWJXISDQYETG-JXGSBULDSA-N. The full InChI is InChI=1S/C10H20N2.2ClH/c1-9-8-11-5-4-10(9)12-6-2-3-7-12;;/h9-11H,2-8H2,1H3;2*1H/t9-,10+;;/m0../s1.
What are the key properties of (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride?
(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride has a molecular weight of 241.21 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride is sourced from PubChem (CID 67315320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).