2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine

C16H26N4 — CID 104822203

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(CC3CC3)CC2)cn1
InChIInChI=1S/C16H26N4/c1-13-2-5-15(11-18-13)16(10-17)20-8-6-19(7-9-20)12-14-3-4-14/h2,5,11,14,16H,3-4,6-10,12,17H2,1H3
InChIKeyWUADYUAOYQXDOJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.42
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 104822203) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
PubChem CID104822203
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(CC3CC3)CC2)cn1
InChIInChI=1S/C16H26N4/c1-13-2-5-15(11-18-13)16(10-17)20-8-6-19(7-9-20)12-14-3-4-14/h2,5,11,14,16H,3-4,6-10,12,17H2,1H3
InChIKeyWUADYUAOYQXDOJ-UHFFFAOYSA-N
XLogP1.42
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 113457077
2-[4-(methoxymethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822316
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822275
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822217
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 107454005
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
CID 61440535
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822114
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62416646
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822274
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822344
2-(4-cyclopropylpiperazin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114937069

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine (CID 104822203) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine is Cc1ccc(C(CN)N2CCN(CC3CC3)CC2)cn1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is WUADYUAOYQXDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-2-5-15(11-18-13)16(10-17)20-8-6-19(7-9-20)12-14-3-4-14/h2,5,11,14,16H,3-4,6-10,12,17H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.42, 5 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]-2-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 104822203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).