2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride

C11H24Cl2N2 — CID 56831717

IUPAC2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
SMILESCC1CCCCN1CC1CCNC1.Cl.Cl
InChIInChI=1S/C11H22N2.2ClH/c1-10-4-2-3-7-13(10)9-11-5-6-12-8-11;;/h10-12H,2-9H2,1H3;2*1H
InChIKeyYPBPSYFHTSVYAR-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.31
Rot. Bonds2

About 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride

2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride (PubChem CID 56831717) has the molecular formula C11H24Cl2N2 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
PubChem CID56831717
Molecular FormulaC11H24Cl2N2
Molecular Weight255.23 g/mol
Exact Mass254.13
IUPAC Name2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
SMILESCC1CCCCN1CC1CCNC1.Cl.Cl
InChIInChI=1S/C11H22N2.2ClH/c1-10-4-2-3-7-13(10)9-11-5-6-12-8-11;;/h10-12H,2-9H2,1H3;2*1H
InChIKeyYPBPSYFHTSVYAR-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880
2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine
CID 82564799
[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119867686
[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 125120891
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
2-methyl-1-(pyrrolidin-2-ylmethyl)piperidine;dihydrochloride
CID 56831768
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
CID 156712071
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
6-methyl-1-(pyrrolidin-3-ylmethyl)piperidine-3-carboxamide
CID 62370528
3-methyl-4-(piperidin-3-ylmethyl)morpholine
CID 43542278
2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)thiomorpholine
CID 115741593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride?
The IUPAC name of 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride (CID 56831717) is 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride.
What is the SMILES notation for 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride?
The canonical SMILES for 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride is CC1CCCCN1CC1CCNC1.Cl.Cl.
What is the InChIKey of 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride?
The InChIKey is YPBPSYFHTSVYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.2ClH/c1-10-4-2-3-7-13(10)9-11-5-6-12-8-11;;/h10-12H,2-9H2,1H3;2*1H.
What are the key properties of 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride?
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride has a molecular weight of 255.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride is sourced from PubChem (CID 56831717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).