ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine

C21H32N4 — CID 143901704

IUPACethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine
SMILESCC.CN1CCN(c2ccc(CCc3ccc(CN)cc3)nc2)CC1
InChIInChI=1S/C19H26N4.C2H6/c1-22-10-12-23(13-11-22)19-9-8-18(21-15-19)7-6-16-2-4-17(14-20)5-3-16;1-2/h2-5,8-9,15H,6-7,10-14,20H2,1H3;1-2H3
InChIKeyQERNRNDGWCOSPY-UHFFFAOYSA-N
MW340.52 g/mol
LogP3.10
Rot. Bonds5

About ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine

ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine (PubChem CID 143901704) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine.

Molecular Properties

Compound Nameethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine
PubChem CID143901704
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Nameethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine
SMILESCC.CN1CCN(c2ccc(CCc3ccc(CN)cc3)nc2)CC1
InChIInChI=1S/C19H26N4.C2H6/c1-22-10-12-23(13-11-22)19-9-8-18(21-15-19)7-6-16-2-4-17(14-20)5-3-16;1-2/h2-5,8-9,15H,6-7,10-14,20H2,1H3;1-2H3
InChIKeyQERNRNDGWCOSPY-UHFFFAOYSA-N
XLogP3.10
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-[2-[4-(aminomethyl)phenyl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58181336
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl 2-aminoacetate
CID 58181358
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid
CID 141250268
tert-butyl 4-[6-[2-[4-(2-hydroxyethyl)phenyl]ethyl]-3-pyridinyl]piperazine-1-carboxylate
CID 67029992
1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
CID 135188571
1-(6-chloro-3-pyridinyl)-4-methylpiperazine
CID 75355748
1-[[3-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl]-1-aminourea;trihydrochloride
CID 67267228
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
ethane;2-ethyl-5-piperidin-1-ylpyridine
CID 144862663
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine?
The IUPAC name of ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine (CID 143901704) is ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine.
What is the SMILES notation for ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine?
The canonical SMILES for ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine is CC.CN1CCN(c2ccc(CCc3ccc(CN)cc3)nc2)CC1.
What is the InChIKey of ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine?
The InChIKey is QERNRNDGWCOSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4.C2H6/c1-22-10-12-23(13-11-22)19-9-8-18(21-15-19)7-6-16-2-4-17(14-20)5-3-16;1-2/h2-5,8-9,15H,6-7,10-14,20H2,1H3;1-2H3.
What are the key properties of ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine?
ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine has a molecular weight of 340.52 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine is sourced from PubChem (CID 143901704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).