ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine

C30H64N4O2 — CID 165134770

IUPACethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine
SMILESCC.CC(=O)N1CCN(CCCCCCCO)CC1.CC(C)NCCCCCCCN1CCCCC1
InChIInChI=1S/C15H32N2.C13H26N2O2.C2H6/c1-15(2)16-11-7-4-3-5-8-12-17-13-9-6-10-14-17;1-13(17)15-10-8-14(9-11-15)7-5-3-2-4-6-12-16;1-2/h15-16H,3-14H2,1-2H3;16H,2-12H2,1H3;1-2H3
InChIKeyIHBOHZPMUYQDEX-UHFFFAOYSA-N
MW512.87 g/mol
LogP5.54
Rot. Bonds16

About ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine

ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine (PubChem CID 165134770) has the molecular formula C30H64N4O2 and a molecular weight of 512.87 g/mol. Its IUPAC name is ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound Nameethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine
PubChem CID165134770
Molecular FormulaC30H64N4O2
Molecular Weight512.87 g/mol
Exact Mass512.50
IUPAC Nameethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine
SMILESCC.CC(=O)N1CCN(CCCCCCCO)CC1.CC(C)NCCCCCCCN1CCCCC1
InChIInChI=1S/C15H32N2.C13H26N2O2.C2H6/c1-15(2)16-11-7-4-3-5-8-12-17-13-9-6-10-14-17;1-13(17)15-10-8-14(9-11-15)7-5-3-2-4-6-12-16;1-2/h15-16H,3-14H2,1-2H3;16H,2-12H2,1H3;1-2H3
InChIKeyIHBOHZPMUYQDEX-UHFFFAOYSA-N
XLogP5.54
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.87
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
1-[4-[3-(propan-2-ylamino)propyl]piperazin-1-yl]propan-1-one
CID 146645130
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897
5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
CID 62228276
1-[4-(9-bromononyl)-1,4-diazepan-1-yl]ethanone
CID 105343708
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
4-(propan-2-ylamino)butan-1-ol
CID 12950986

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine?
The IUPAC name of ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine (CID 165134770) is ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine?
The canonical SMILES for ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine is CC.CC(=O)N1CCN(CCCCCCCO)CC1.CC(C)NCCCCCCCN1CCCCC1.
What is the InChIKey of ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine?
The InChIKey is IHBOHZPMUYQDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2.C13H26N2O2.C2H6/c1-15(2)16-11-7-4-3-5-8-12-17-13-9-6-10-14-17;1-13(17)15-10-8-14(9-11-15)7-5-3-2-4-6-12-16;1-2/h15-16H,3-14H2,1-2H3;16H,2-12H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine?
ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine has a molecular weight of 512.87 g/mol, XLogP of 5.54, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(7-hydroxyheptyl)piperazin-1-yl]ethanone;7-piperidin-1-yl-N-propan-2-ylheptan-1-amine is sourced from PubChem (CID 165134770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).