1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine

C14H19FN2O — CID 117379378

IUPAC1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
SMILESFc1ccc(OC2CC2)c(CN2CCNCC2)c1
InChIInChI=1S/C14H19FN2O/c15-12-1-4-14(18-13-2-3-13)11(9-12)10-17-7-5-16-6-8-17/h1,4,9,13,16H,2-3,5-8,10H2
InChIKeyKDIWKXJOHCPLCP-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.77
Rot. Bonds4

About 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine

1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine (PubChem CID 117379378) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
PubChem CID117379378
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
SMILESFc1ccc(OC2CC2)c(CN2CCNCC2)c1
InChIInChI=1S/C14H19FN2O/c15-12-1-4-14(18-13-2-3-13)11(9-12)10-17-7-5-16-6-8-17/h1,4,9,13,16H,2-3,5-8,10H2
InChIKeyKDIWKXJOHCPLCP-UHFFFAOYSA-N
XLogP1.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22397525
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
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1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
CID 117298784
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine
CID 117443013
1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine
CID 139743344
(4-cyclopentyloxy-3-methoxyphenyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 112835119
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine (CID 117379378) is 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine is Fc1ccc(OC2CC2)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine?
The InChIKey is KDIWKXJOHCPLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-1-4-14(18-13-2-3-13)11(9-12)10-17-7-5-16-6-8-17/h1,4,9,13,16H,2-3,5-8,10H2.
What are the key properties of 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine?
1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine has a molecular weight of 250.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 117379378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).