2-propyl-1-(pyridin-4-ylmethyl)piperazine

C13H21N3 — CID 64832934

IUPAC2-propyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCCC1CNCCN1Cc1ccncc1
InChIInChI=1S/C13H21N3/c1-2-3-13-10-15-8-9-16(13)11-12-4-6-14-7-5-12/h4-7,13,15H,2-3,8-11H2,1H3
InChIKeyDPRSBPSLFDAXJU-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.66
Rot. Bonds4

About 2-propyl-1-(pyridin-4-ylmethyl)piperazine

2-propyl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64832934) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-propyl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-propyl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64832934
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-propyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCCC1CNCCN1Cc1ccncc1
InChIInChI=1S/C13H21N3/c1-2-3-13-10-15-8-9-16(13)11-12-4-6-14-7-5-12/h4-7,13,15H,2-3,8-11H2,1H3
InChIKeyDPRSBPSLFDAXJU-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
CID 134465394
1-[(2,3-dichlorophenyl)methyl]-2-propylpiperazine
CID 107310434
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-(naphthalen-1-ylmethyl)-2-propylpiperazine
CID 64832736
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64832933
2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 7447550
methyl 3-[(2-propylpiperazin-1-yl)methyl]benzoate
CID 75088533
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
1-[(3-bromothiophen-2-yl)methyl]-2-propylpiperazine
CID 64832145
1-[(5-chloro-2-methoxyphenyl)methyl]-2-propylpiperazine
CID 64831564
2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
CID 79232786

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 2-propyl-1-(pyridin-4-ylmethyl)piperazine (CID 64832934) is 2-propyl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 2-propyl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 2-propyl-1-(pyridin-4-ylmethyl)piperazine is CCCC1CNCCN1Cc1ccncc1.
What is the InChIKey of 2-propyl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is DPRSBPSLFDAXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-3-13-10-15-8-9-16(13)11-12-4-6-14-7-5-12/h4-7,13,15H,2-3,8-11H2,1H3.
What are the key properties of 2-propyl-1-(pyridin-4-ylmethyl)piperazine?
2-propyl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64832934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).