1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine

C21H28N4 — CID 146252821

IUPAC1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(-c3ccc(N4CCCC4)nc3)cc2)CC1
InChIInChI=1S/C21H28N4/c1-23-12-14-24(15-13-23)17-18-4-6-19(7-5-18)20-8-9-21(22-16-20)25-10-2-3-11-25/h4-9,16H,2-3,10-15,17H2,1H3
InChIKeyMSXRFHMJSAXXRN-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.10
Rot. Bonds4

About 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine

1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine (PubChem CID 146252821) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
PubChem CID146252821
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(-c3ccc(N4CCCC4)nc3)cc2)CC1
InChIInChI=1S/C21H28N4/c1-23-12-14-24(15-13-23)17-18-4-6-19(7-5-18)20-8-9-21(22-16-20)25-10-2-3-11-25/h4-9,16H,2-3,10-15,17H2,1H3
InChIKeyMSXRFHMJSAXXRN-UHFFFAOYSA-N
XLogP3.10
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(azepan-1-yl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 53149949
2-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111411252
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
1-[[4-(4-ethylphenyl)phenyl]methyl]-4-methyl-1,4-diazepane;bis(1-methyl-4-[[4-(4-methylphenyl)phenyl]methyl]-1,4-diazepane)
CID 158603186
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
CID 146252701
(5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 24964503
4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde
CID 146252780

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine (CID 146252821) is 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine is CN1CCN(Cc2ccc(-c3ccc(N4CCCC4)nc3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine?
The InChIKey is MSXRFHMJSAXXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-23-12-14-24(15-13-23)17-18-4-6-19(7-5-18)20-8-9-21(22-16-20)25-10-2-3-11-25/h4-9,16H,2-3,10-15,17H2,1H3.
What are the key properties of 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine?
1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine has a molecular weight of 336.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine is sourced from PubChem (CID 146252821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).