4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine

C17H26N2 — CID 119930010

IUPAC4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
SMILESCc1ccc(C2CCCN2CC2CCNCC2)cc1
InChIInChI=1S/C17H26N2/c1-14-4-6-16(7-5-14)17-3-2-12-19(17)13-15-8-10-18-11-9-15/h4-7,15,17-18H,2-3,8-13H2,1H3
InChIKeyYKEIKGVLEZOHRB-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.13
Rot. Bonds3

About 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine

4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine (PubChem CID 119930010) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
PubChem CID119930010
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
SMILESCc1ccc(C2CCCN2CC2CCNCC2)cc1
InChIInChI=1S/C17H26N2/c1-14-4-6-16(7-5-14)17-3-2-12-19(17)13-15-8-10-18-11-9-15/h4-7,15,17-18H,2-3,8-13H2,1H3
InChIKeyYKEIKGVLEZOHRB-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-(piperidin-4-ylmethyl)piperidine
CID 120847720
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248
4-[[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methyl]piperidine
CID 119932633
2-(4-bromophenyl)-1-(oxan-4-ylmethyl)pyrrolidine
CID 166174183
6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine
CID 166174169
7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one
CID 119930634
4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880
(E)-3-[4-[(2S)-1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]prop-2-enoic acid
CID 152531799
2-[2-[4-(4-methylphenoxy)phenyl]pyrrolidin-1-yl]ethanol
CID 24845455
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87290698
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine (CID 119930010) is 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine is Cc1ccc(C2CCCN2CC2CCNCC2)cc1.
What is the InChIKey of 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine?
The InChIKey is YKEIKGVLEZOHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-4-6-16(7-5-14)17-3-2-12-19(17)13-15-8-10-18-11-9-15/h4-7,15,17-18H,2-3,8-13H2,1H3.
What are the key properties of 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine?
4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine has a molecular weight of 258.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 119930010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).