1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine

C19H31N3 — CID 117485780

IUPAC1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine
SMILESCN1CCN(CCc2ccc(CC3CCNCC3)cc2)CC1
InChIInChI=1S/C19H31N3/c1-21-12-14-22(15-13-21)11-8-17-2-4-18(5-3-17)16-19-6-9-20-10-7-19/h2-5,19-20H,6-16H2,1H3
InChIKeyFWDAJVQTEAFOKQ-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.02
Rot. Bonds5

About 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine

1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine (PubChem CID 117485780) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine
PubChem CID117485780
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine
SMILESCN1CCN(CCc2ccc(CC3CCNCC3)cc2)CC1
InChIInChI=1S/C19H31N3/c1-21-12-14-22(15-13-21)11-8-17-2-4-18(5-3-17)16-19-6-9-20-10-7-19/h2-5,19-20H,6-16H2,1H3
InChIKeyFWDAJVQTEAFOKQ-UHFFFAOYSA-N
XLogP2.02
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine
CID 117466215
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride
CID 146064794
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117405627
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
1-methyl-4-[4-(piperidin-4-ylmethyl)phenyl]piperazine-2,3-dione
CID 117485669
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
CID 117436744

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine (CID 117485780) is 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine is CN1CCN(CCc2ccc(CC3CCNCC3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine?
The InChIKey is FWDAJVQTEAFOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-21-12-14-22(15-13-21)11-8-17-2-4-18(5-3-17)16-19-6-9-20-10-7-19/h2-5,19-20H,6-16H2,1H3.
What are the key properties of 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine?
1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine has a molecular weight of 301.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117485780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).