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

C17H27N3O — CID 61441376

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CN2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-21-16-6-4-15(5-7-16)17(18)13-20-10-8-19(9-11-20)12-14-2-3-14/h4-7,14,17H,2-3,8-13,18H2,1H3
InChIKeyLQWHRSKMHWAVDL-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.72
Rot. Bonds6

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

2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 61441376) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
PubChem CID61441376
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CN2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-21-16-6-4-15(5-7-16)17(18)13-20-10-8-19(9-11-20)12-14-2-3-14/h4-7,14,17H,2-3,8-13,18H2,1H3
InChIKeyLQWHRSKMHWAVDL-UHFFFAOYSA-N
XLogP1.72
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973650
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1-[2-amino-2-(4-methoxyphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63169686
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 45248772
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 82747780
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237914
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine (CID 61441376) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CN2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is LQWHRSKMHWAVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-21-16-6-4-15(5-7-16)17(18)13-20-10-8-19(9-11-20)12-14-2-3-14/h4-7,14,17H,2-3,8-13,18H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 61441376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).