N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine

C17H26FN3 — CID 61445256

IUPACN-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H26FN3/c1-2-19-12-15-11-16(18)5-6-17(15)21-9-7-20(8-10-21)13-14-3-4-14/h5-6,11,14,19H,2-4,7-10,12-13H2,1H3
InChIKeyGUURCTZLNCQQRV-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.47
Rot. Bonds6

About N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine

N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine (PubChem CID 61445256) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine
PubChem CID61445256
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H26FN3/c1-2-19-12-15-11-16(18)5-6-17(15)21-9-7-20(8-10-21)13-14-3-4-14/h5-6,11,14,19H,2-4,7-10,12-13H2,1H3
InChIKeyGUURCTZLNCQQRV-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine (CID 61445256) is N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1N1CCN(CC2CC2)CC1.
What is the InChIKey of N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine?
The InChIKey is GUURCTZLNCQQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-2-19-12-15-11-16(18)5-6-17(15)21-9-7-20(8-10-21)13-14-3-4-14/h5-6,11,14,19H,2-4,7-10,12-13H2,1H3.
What are the key properties of N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine?
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine has a molecular weight of 291.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 61445256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).