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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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).