1-(1-heptan-4-ylazetidin-3-yl)piperazine

C14H29N3 — CID 66203956

IUPAC1-(1-heptan-4-ylazetidin-3-yl)piperazine
SMILESCCCC(CCC)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H29N3/c1-3-5-13(6-4-2)17-11-14(12-17)16-9-7-15-8-10-16/h13-15H,3-12H2,1-2H3
InChIKeyPOILTWAKLVYWCL-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds6

About 1-(1-heptan-4-ylazetidin-3-yl)piperazine

1-(1-heptan-4-ylazetidin-3-yl)piperazine (PubChem CID 66203956) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(1-heptan-4-ylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1-heptan-4-ylazetidin-3-yl)piperazine
PubChem CID66203956
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(1-heptan-4-ylazetidin-3-yl)piperazine
SMILESCCCC(CCC)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H29N3/c1-3-5-13(6-4-2)17-11-14(12-17)16-9-7-15-8-10-16/h13-15H,3-12H2,1-2H3
InChIKeyPOILTWAKLVYWCL-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-heptan-4-ylazetidin-3-yl)piperazine?
The IUPAC name of 1-(1-heptan-4-ylazetidin-3-yl)piperazine (CID 66203956) is 1-(1-heptan-4-ylazetidin-3-yl)piperazine.
What is the SMILES notation for 1-(1-heptan-4-ylazetidin-3-yl)piperazine?
The canonical SMILES for 1-(1-heptan-4-ylazetidin-3-yl)piperazine is CCCC(CCC)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-(1-heptan-4-ylazetidin-3-yl)piperazine?
The InChIKey is POILTWAKLVYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-5-13(6-4-2)17-11-14(12-17)16-9-7-15-8-10-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(1-heptan-4-ylazetidin-3-yl)piperazine?
1-(1-heptan-4-ylazetidin-3-yl)piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-heptan-4-ylazetidin-3-yl)piperazine is sourced from PubChem (CID 66203956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).