2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine

C18H29N3 — CID 62416646

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H29N3/c1-2-16-5-3-4-6-17(16)18(13-19)21-11-9-20(10-12-21)14-15-7-8-15/h3-6,15,18H,2,7-14,19H2,1H3
InChIKeyQTQYWXNGFDUSPV-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.28
Rot. Bonds6

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine (PubChem CID 62416646) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
PubChem CID62416646
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
SMILESCCc1ccccc1C(CN)N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H29N3/c1-2-16-5-3-4-6-17(16)18(13-19)21-11-9-20(10-12-21)14-15-7-8-15/h3-6,15,18H,2,7-14,19H2,1H3
InChIKeyQTQYWXNGFDUSPV-UHFFFAOYSA-N
XLogP2.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62392807
2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62414478
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine
CID 63668255
2-(2-ethylphenyl)-2-morpholin-4-ylethanamine
CID 62392799
2-(2-ethylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 55067304
2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537626
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
CID 61440535
2-(2-ethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964789
2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 62414680

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine (CID 62416646) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine is CCc1ccccc1C(CN)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine?
The InChIKey is QTQYWXNGFDUSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-16-5-3-4-6-17(16)18(13-19)21-11-9-20(10-12-21)14-15-7-8-15/h3-6,15,18H,2,7-14,19H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine is sourced from PubChem (CID 62416646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).