1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine

C14H26N2 — CID 166955946

IUPAC1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine
SMILESCC1CC2CCCC(N3CCNCC3)(C1)C2
InChIInChI=1S/C14H26N2/c1-12-9-13-3-2-4-14(10-12,11-13)16-7-5-15-6-8-16/h12-13,15H,2-11H2,1H3
InChIKeyTZSQUWQRWODNMQ-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds1

About 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine

1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine (PubChem CID 166955946) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine.

Molecular Properties

Compound Name1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine
PubChem CID166955946
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine
SMILESCC1CC2CCCC(N3CCNCC3)(C1)C2
InChIInChI=1S/C14H26N2/c1-12-9-13-3-2-4-14(10-12,11-13)16-7-5-15-6-8-16/h12-13,15H,2-11H2,1H3
InChIKeyTZSQUWQRWODNMQ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine?
The IUPAC name of 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine (CID 166955946) is 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine.
What is the SMILES notation for 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine?
The canonical SMILES for 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine is CC1CC2CCCC(N3CCNCC3)(C1)C2.
What is the InChIKey of 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine?
The InChIKey is TZSQUWQRWODNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12-9-13-3-2-4-14(10-12,11-13)16-7-5-15-6-8-16/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine?
1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine is sourced from PubChem (CID 166955946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).