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

C17H27N3 — CID 117436744

IUPAC1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
SMILESCN1CCN(c2ccccc2CC2CCNCC2)CC1
InChIInChI=1S/C17H27N3/c1-19-10-12-20(13-11-19)17-5-3-2-4-16(17)14-15-6-8-18-9-7-15/h2-5,15,18H,6-14H2,1H3
InChIKeyNKSRFSOTOPFECI-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.98
Rot. Bonds3

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

1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine (PubChem CID 117436744) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
PubChem CID117436744
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
SMILESCN1CCN(c2ccccc2CC2CCNCC2)CC1
InChIInChI=1S/C17H27N3/c1-19-10-12-20(13-11-19)17-5-3-2-4-16(17)14-15-6-8-18-9-7-15/h2-5,15,18H,6-14H2,1H3
InChIKeyNKSRFSOTOPFECI-UHFFFAOYSA-N
XLogP1.98
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione
CID 117463844
1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine
CID 157470023
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052
1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine
CID 117485780
4-[[2-(triazol-1-yl)phenyl]methyl]piperidine
CID 117358240
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757
1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one
CID 117399770
N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 117343517
6-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-1-yl]-3H-2-benzofuran-1-one
CID 91224323
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine (CID 117436744) is 1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine is CN1CCN(c2ccccc2CC2CCNCC2)CC1.
What is the InChIKey of 1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine?
The InChIKey is NKSRFSOTOPFECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-10-12-20(13-11-19)17-5-3-2-4-16(17)14-15-6-8-18-9-7-15/h2-5,15,18H,6-14H2,1H3.
What are the key properties of 1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine?
1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine has a molecular weight of 273.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine is sourced from PubChem (CID 117436744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).