5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine

C14H21N3 — CID 64860864

IUPAC5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCC1CNC(C2CC2)CN1Cc1ccncc1
InChIInChI=1S/C14H21N3/c1-11-8-16-14(13-2-3-13)10-17(11)9-12-4-6-15-7-5-12/h4-7,11,13-14,16H,2-3,8-10H2,1H3
InChIKeyBIYPJIYLEQPNKC-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.65
Rot. Bonds3

About 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine

5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64860864) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64860864
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCC1CNC(C2CC2)CN1Cc1ccncc1
InChIInChI=1S/C14H21N3/c1-11-8-16-14(13-2-3-13)10-17(11)9-12-4-6-15-7-5-12/h4-7,11,13-14,16H,2-3,8-10H2,1H3
InChIKeyBIYPJIYLEQPNKC-UHFFFAOYSA-N
XLogP1.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 106421827
3,7-dimethyl-1-(pyridin-4-ylmethyl)-1,4-diazepane
CID 64870371
5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64933586
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64939610
5-cyclopropyl-2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64862206
5-cyclopropyl-2-methyl-1-(naphthalen-1-ylmethyl)piperazine
CID 64860475
5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
CID 80527617
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376640
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64942156

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine (CID 64860864) is 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine is CC1CNC(C2CC2)CN1Cc1ccncc1.
What is the InChIKey of 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is BIYPJIYLEQPNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-8-16-14(13-2-3-13)10-17(11)9-12-4-6-15-7-5-12/h4-7,11,13-14,16H,2-3,8-10H2,1H3.
What are the key properties of 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine?
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 231.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64860864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).