2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride

C12H24Cl2N2 — CID 18955366

IUPAC2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride
SMILESCC1(C)CCCNC1CN1CC=CC1.Cl.Cl
InChIInChI=1S/C12H22N2.2ClH/c1-12(2)6-5-7-13-11(12)10-14-8-3-4-9-14;;/h3-4,11,13H,5-10H2,1-2H3;2*1H
InChIKeyKGNATHATTFLBOZ-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.48
Rot. Bonds2

About 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride

2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride (PubChem CID 18955366) has the molecular formula C12H24Cl2N2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride
PubChem CID18955366
Molecular FormulaC12H24Cl2N2
Molecular Weight267.24 g/mol
Exact Mass266.13
IUPAC Name2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride
SMILESCC1(C)CCCNC1CN1CC=CC1.Cl.Cl
InChIInChI=1S/C12H22N2.2ClH/c1-12(2)6-5-7-13-11(12)10-14-8-3-4-9-14;;/h3-4,11,13H,5-10H2,1-2H3;2*1H
InChIKeyKGNATHATTFLBOZ-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 15020433
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CID 55176453
CID 55176453
CID 62559543
CID 62559543
CID 62559936
CID 62559936
CID 62567933
CID 62567933
CID 62568804
CID 62568804
CID 62568825
CID 62568825
CID 62569929
CID 62569929
CID 62570668
CID 62570668
CID 62930493
CID 62930493
CID 62932209
CID 62932209

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride?
The IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride (CID 18955366) is 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride is CC1(C)CCCNC1CN1CC=CC1.Cl.Cl.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride?
The InChIKey is KGNATHATTFLBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.2ClH/c1-12(2)6-5-7-13-11(12)10-14-8-3-4-9-14;;/h3-4,11,13H,5-10H2,1-2H3;2*1H.
What are the key properties of 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride?
2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride has a molecular weight of 267.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine;dihydrochloride is sourced from PubChem (CID 18955366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).