2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine

C17H27N3 — CID 61440628

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C17H27N3/c1-14-3-2-4-16(11-14)17(12-18)20-9-7-19(8-10-20)13-15-5-6-15/h2-4,11,15,17H,5-10,12-13,18H2,1H3
InChIKeyHXSMEPPIXYFEEN-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.02
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine (PubChem CID 61440628) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
PubChem CID61440628
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C17H27N3/c1-14-3-2-4-16(11-14)17(12-18)20-9-7-19(8-10-20)13-15-5-6-15/h2-4,11,15,17H,5-10,12-13,18H2,1H3
InChIKeyHXSMEPPIXYFEEN-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822203
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
CID 61440535
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62416646
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine
CID 63668255
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 82747736
2-(2-ethylmorpholin-4-yl)-2-(3-methylphenyl)ethanamine
CID 43562475

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine (CID 61440628) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine is Cc1cccc(C(CN)N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine?
The InChIKey is HXSMEPPIXYFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-3-2-4-16(11-14)17(12-18)20-9-7-19(8-10-20)13-15-5-6-15/h2-4,11,15,17H,5-10,12-13,18H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.02, 5 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-(3-methylphenyl)ethanamine is sourced from PubChem (CID 61440628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).