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

C17H27N3 — CID 63785404

IUPAC2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H27N3/c1-14-12-15(6-7-18)4-5-17(14)20-10-8-19(9-11-20)13-16-2-3-16/h4-5,12,16H,2-3,6-11,13,18H2,1H3
InChIKeyVUNHZMMCQCALGA-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.03
Rot. Bonds5

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

2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine (PubChem CID 63785404) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine
PubChem CID63785404
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H27N3/c1-14-12-15(6-7-18)4-5-17(14)20-10-8-19(9-11-20)13-16-2-3-16/h4-5,12,16H,2-3,6-11,13,18H2,1H3
InChIKeyVUNHZMMCQCALGA-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine (CID 63785404) is 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine is Cc1cc(CCN)ccc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine?
The InChIKey is VUNHZMMCQCALGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-12-15(6-7-18)4-5-17(14)20-10-8-19(9-11-20)13-16-2-3-16/h4-5,12,16H,2-3,6-11,13,18H2,1H3.
What are the key properties of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine?
2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine is sourced from PubChem (CID 63785404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).