1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine

C21H43N3O — CID 146439783

IUPAC1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine
SMILESCC(C)OC(C)CCC(C)N1CCC(C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C21H43N3O/c1-17(2)25-19(4)8-7-18(3)23-13-9-20(10-14-23)21(5,6)24-15-11-22-12-16-24/h17-20,22H,7-16H2,1-6H3
InChIKeyRXCVSFBRDPAETK-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.36
Rot. Bonds8

About 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine

1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine (PubChem CID 146439783) has the molecular formula C21H43N3O and a molecular weight of 353.60 g/mol. Its IUPAC name is 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine
PubChem CID146439783
Molecular FormulaC21H43N3O
Molecular Weight353.60 g/mol
Exact Mass353.34
IUPAC Name1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine
SMILESCC(C)OC(C)CCC(C)N1CCC(C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C21H43N3O/c1-17(2)25-19(4)8-7-18(3)23-13-9-20(10-14-23)21(5,6)24-15-11-22-12-16-24/h17-20,22H,7-16H2,1-6H3
InChIKeyRXCVSFBRDPAETK-UHFFFAOYSA-N
XLogP3.36
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclobutylpropan-2-yl)piperazine
CID 116964788
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
(3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine
CID 146303111
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
CID 170928468
4-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 62411940
2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 167285951
1-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidine
CID 130233659
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
1-heptan-2-ylpiperazine
CID 61464712
1-(4-methylsulfanylbutan-2-yl)piperazine
CID 112703762
2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
CID 116946834
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine?
The IUPAC name of 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine (CID 146439783) is 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine?
The canonical SMILES for 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine is CC(C)OC(C)CCC(C)N1CCC(C(C)(C)N2CCNCC2)CC1.
What is the InChIKey of 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine?
The InChIKey is RXCVSFBRDPAETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O/c1-17(2)25-19(4)8-7-18(3)23-13-9-20(10-14-23)21(5,6)24-15-11-22-12-16-24/h17-20,22H,7-16H2,1-6H3.
What are the key properties of 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine?
1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine has a molecular weight of 353.60 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine is sourced from PubChem (CID 146439783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).