1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine

C17H24N2O2 — CID 166799801

IUPAC1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
SMILESc1cc(OC2CC2)c(OC2CC2)cc1CN1CCNCC1
InChIInChI=1S/C17H24N2O2/c1-6-16(20-14-2-3-14)17(21-15-4-5-15)11-13(1)12-19-9-7-18-8-10-19/h1,6,11,14-15,18H,2-5,7-10,12H2
InChIKeyGUKQBEYVAVQFGD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.17
Rot. Bonds6

About 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine

1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine (PubChem CID 166799801) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
PubChem CID166799801
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
SMILESc1cc(OC2CC2)c(OC2CC2)cc1CN1CCNCC1
InChIInChI=1S/C17H24N2O2/c1-6-16(20-14-2-3-14)17(21-15-4-5-15)11-13(1)12-19-9-7-18-8-10-19/h1,6,11,14-15,18H,2-5,7-10,12H2
InChIKeyGUKQBEYVAVQFGD-UHFFFAOYSA-N
XLogP2.17
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
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1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
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1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
CID 71137798
1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine
CID 117446782
1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine
CID 82263845
1-[[3-chloro-4-(thian-4-yl)phenyl]methyl]piperazine
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1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine (CID 166799801) is 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine is c1cc(OC2CC2)c(OC2CC2)cc1CN1CCNCC1.
What is the InChIKey of 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine?
The InChIKey is GUKQBEYVAVQFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-16(20-14-2-3-14)17(21-15-4-5-15)11-13(1)12-19-9-7-18-8-10-19/h1,6,11,14-15,18H,2-5,7-10,12H2.
What are the key properties of 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine?
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine has a molecular weight of 288.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine is sourced from PubChem (CID 166799801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).