2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine

C16H23N3 — CID 64861091

IUPAC2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine
SMILESc1cncc(CN2CC(C3CC3)NCC2C2CC2)c1
InChIInChI=1S/C16H23N3/c1-2-12(8-17-7-1)10-19-11-15(13-3-4-13)18-9-16(19)14-5-6-14/h1-2,7-8,13-16,18H,3-6,9-11H2
InChIKeyMRYWXZMEOPUAMP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.04
Rot. Bonds4

About 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine

2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 64861091) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine
PubChem CID64861091
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine
SMILESc1cncc(CN2CC(C3CC3)NCC2C2CC2)c1
InChIInChI=1S/C16H23N3/c1-2-12(8-17-7-1)10-19-11-15(13-3-4-13)18-9-16(19)14-5-6-14/h1-2,7-8,13-16,18H,3-6,9-11H2
InChIKeyMRYWXZMEOPUAMP-UHFFFAOYSA-N
XLogP2.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2,5-dicyclohexylpiperazine
CID 64861335
1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64862434
5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine
CID 64933236
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870565
(5aR,9aR)-1-(pyridin-3-ylmethyl)-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[3,4-e][1,4]oxazepine
CID 173262654
(4aR,7aS)-4-(pyridin-3-ylmethyl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
CID 124779706
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744
(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
CID 10058322
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
2,5-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64859740
2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 102879656

Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine (CID 64861091) is 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine is c1cncc(CN2CC(C3CC3)NCC2C2CC2)c1.
What is the InChIKey of 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is MRYWXZMEOPUAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-12(8-17-7-1)10-19-11-15(13-3-4-13)18-9-16(19)14-5-6-14/h1-2,7-8,13-16,18H,3-6,9-11H2.
What are the key properties of 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine?
2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 257.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 64861091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).