ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine

C25H48N4 — CID 171069867

IUPACethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine
SMILESCC.CC.CCCC1(CCN)CCN(CN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H36N4.2C2H6/c1-2-8-21(9-12-22)10-13-23(14-11-21)19-24-15-17-25(18-16-24)20-6-4-3-5-7-20;2*1-2/h3-7H,2,8-19,22H2,1H3;2*1-2H3
InChIKeyWBOAQJHDNRNAFS-UHFFFAOYSA-N
MW404.69 g/mol
LogP5.05
Rot. Bonds7

About ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine

ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine (PubChem CID 171069867) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Nameethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine
PubChem CID171069867
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Nameethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine
SMILESCC.CC.CCCC1(CCN)CCN(CN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H36N4.2C2H6/c1-2-8-21(9-12-22)10-13-23(14-11-21)19-24-15-17-25(18-16-24)20-6-4-3-5-7-20;2*1-2/h3-7H,2,8-19,22H2,1H3;2*1-2H3
InChIKeyWBOAQJHDNRNAFS-UHFFFAOYSA-N
XLogP5.05
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.69
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine
CID 65480516
N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 171070048
1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-phenyl-3-propylpyrrolidin-2-one
CID 75170383
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
5-[4-[4-(3-aminopropyl)-4-propylazepan-1-yl]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 164923029
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 24693500
ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine
CID 91214897
(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
CID 22689467
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119903379
2-[4-(ethylamino)-1-phenylpiperidin-4-yl]acetamide
CID 106821089

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine?
The IUPAC name of ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine (CID 171069867) is ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine.
What is the SMILES notation for ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine?
The canonical SMILES for ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine is CC.CC.CCCC1(CCN)CCN(CN2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine?
The InChIKey is WBOAQJHDNRNAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4.2C2H6/c1-2-8-21(9-12-22)10-13-23(14-11-21)19-24-15-17-25(18-16-24)20-6-4-3-5-7-20;2*1-2/h3-7H,2,8-19,22H2,1H3;2*1-2H3.
What are the key properties of ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine?
ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine has a molecular weight of 404.69 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 171069867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).