1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine

C25H36N4 — CID 59543440

IUPAC1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(-c3ccc(CCN4CCCC4)cc3)cn2)CC1
InChIInChI=1S/C25H36N4/c1-21(2)29-17-15-28(16-18-29)20-25-10-9-24(19-26-25)23-7-5-22(6-8-23)11-14-27-12-3-4-13-27/h5-10,19,21H,3-4,11-18,20H2,1-2H3
InChIKeyOUXGDDWWDCSWEJ-UHFFFAOYSA-N
MW392.59 g/mol
LogP3.91
Rot. Bonds7

About 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine

1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine (PubChem CID 59543440) has the molecular formula C25H36N4 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine
PubChem CID59543440
Molecular FormulaC25H36N4
Molecular Weight392.59 g/mol
Exact Mass392.29
IUPAC Name1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(-c3ccc(CCN4CCCC4)cc3)cn2)CC1
InChIInChI=1S/C25H36N4/c1-21(2)29-17-15-28(16-18-29)20-25-10-9-24(19-26-25)23-7-5-22(6-8-23)11-14-27-12-3-4-13-27/h5-10,19,21H,3-4,11-18,20H2,1-2H3
InChIKeyOUXGDDWWDCSWEJ-UHFFFAOYSA-N
XLogP3.91
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione
CID 11609917
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 135299357
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
CID 146252821
2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine
CID 87702483
2-methyl-6-[4-(2-piperidin-1-ylethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 167786191
3-chloro-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 59543422

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine (CID 59543440) is 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine is CC(C)N1CCN(Cc2ccc(-c3ccc(CCN4CCCC4)cc3)cn2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine?
The InChIKey is OUXGDDWWDCSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4/c1-21(2)29-17-15-28(16-18-29)20-25-10-9-24(19-26-25)23-7-5-22(6-8-23)11-14-27-12-3-4-13-27/h5-10,19,21H,3-4,11-18,20H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine?
1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine has a molecular weight of 392.59 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine is sourced from PubChem (CID 59543440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).