(2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride

C10H22Cl2N2 — CID 67314544

IUPAC(2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
SMILESC[C@@H]1C[C@@H](N2CCCC2)CCN1.Cl.Cl
InChIInChI=1S/C10H20N2.2ClH/c1-9-8-10(4-5-11-9)12-6-2-3-7-12;;/h9-11H,2-8H2,1H3;2*1H/t9-,10+;;/m1../s1
InChIKeyJIGBUACGQKNYDT-NKRBYZSKSA-N
MW241.21 g/mol
LogP2.07
Rot. Bonds1

About (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride

(2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride (PubChem CID 67314544) has the molecular formula C10H22Cl2N2 and a molecular weight of 241.21 g/mol. Its IUPAC name is (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride.

Molecular Properties

Compound Name(2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
PubChem CID67314544
Molecular FormulaC10H22Cl2N2
Molecular Weight241.21 g/mol
Exact Mass240.12
IUPAC Name(2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
SMILESC[C@@H]1C[C@@H](N2CCCC2)CCN1.Cl.Cl
InChIInChI=1S/C10H20N2.2ClH/c1-9-8-10(4-5-11-9)12-6-2-3-7-12;;/h9-11H,2-8H2,1H3;2*1H/t9-,10+;;/m1../s1
InChIKeyJIGBUACGQKNYDT-NKRBYZSKSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-4-(2-methylpiperidin-4-yl)piperazine
CID 113482519
1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane
CID 64743687
[(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol
CID 67315088
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
2-(2-methylpiperidin-4-yl)thiazinane 1,1-dioxide
CID 106996411
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-methylpiperidin-4-yl)methanone
CID 106740019
1-(2-methylpiperidin-4-yl)-1,3-diazinan-2-one
CID 106996405
3-methyl-1-(5-methylpyrrolidin-3-yl)piperidine
CID 130528543
1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550960
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
1-(2-methylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 106996346

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride?
The IUPAC name of (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride (CID 67314544) is (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride.
What is the SMILES notation for (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride?
The canonical SMILES for (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride is C[C@@H]1C[C@@H](N2CCCC2)CCN1.Cl.Cl.
What is the InChIKey of (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride?
The InChIKey is JIGBUACGQKNYDT-NKRBYZSKSA-N. The full InChI is InChI=1S/C10H20N2.2ClH/c1-9-8-10(4-5-11-9)12-6-2-3-7-12;;/h9-11H,2-8H2,1H3;2*1H/t9-,10+;;/m1../s1.
What are the key properties of (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride?
(2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride has a molecular weight of 241.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride is sourced from PubChem (CID 67314544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).