4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride

C17H28Cl2N2 — CID 170994863

IUPAC4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride
SMILESCc1ccc(CN2CCCC2)c(C2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C17H26N2.2ClH/c1-14-4-5-16(13-19-10-2-3-11-19)17(12-14)15-6-8-18-9-7-15;;/h4-5,12,15,18H,2-3,6-11,13H2,1H3;2*1H
InChIKeyCVICIRBYUDUGCL-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.90
Rot. Bonds3

About 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride

4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride (PubChem CID 170994863) has the molecular formula C17H28Cl2N2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride
PubChem CID170994863
Molecular FormulaC17H28Cl2N2
Molecular Weight331.33 g/mol
Exact Mass330.16
IUPAC Name4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride
SMILESCc1ccc(CN2CCCC2)c(C2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C17H26N2.2ClH/c1-14-4-5-16(13-19-10-2-3-11-19)17(12-14)15-6-8-18-9-7-15;;/h4-5,12,15,18H,2-3,6-11,13H2,1H3;2*1H
InChIKeyCVICIRBYUDUGCL-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine
CID 170994872
4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride
CID 170994889
1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride
CID 130367096
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
N,N-dimethyl-1-(5-methyl-2-piperidin-4-ylphenyl)methanamine;ethane
CID 166120310
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine
CID 155201567
1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one
CID 155201545
5-methyl-2-(pyrrolidin-1-ylmethyl)benzoic acid
CID 117220857
4-(4-methyl-2-prop-2-enylphenyl)piperidine
CID 155201541
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride?
The IUPAC name of 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride (CID 170994863) is 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride?
The canonical SMILES for 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride is Cc1ccc(CN2CCCC2)c(C2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride?
The InChIKey is CVICIRBYUDUGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.2ClH/c1-14-4-5-16(13-19-10-2-3-11-19)17(12-14)15-6-8-18-9-7-15;;/h4-5,12,15,18H,2-3,6-11,13H2,1H3;2*1H.
What are the key properties of 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride?
4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride has a molecular weight of 331.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride is sourced from PubChem (CID 170994863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).