1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine

C21H34N2 — CID 168980312

IUPAC1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine
SMILESCC(C)C1CCN(CC#CC#CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H34N2/c1-18(2)21-11-14-22(15-12-21)13-7-5-6-8-20-9-16-23(17-10-20)19(3)4/h18-21H,9-17H2,1-4H3
InChIKeyWYIVULGTSJHASI-UHFFFAOYSA-N
MW314.52 g/mol
LogP3.48
Rot. Bonds3

About 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine

1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine (PubChem CID 168980312) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine
PubChem CID168980312
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine
SMILESCC(C)C1CCN(CC#CC#CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H34N2/c1-18(2)21-11-14-22(15-12-21)13-7-5-6-8-20-9-16-23(17-10-20)19(3)4/h18-21H,9-17H2,1-4H3
InChIKeyWYIVULGTSJHASI-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-di(propan-2-yl)piperidine
CID 21303253
4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine
CID 170691582
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
CID 162072705
(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 170629430
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
4-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 126675083
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine?
The IUPAC name of 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine (CID 168980312) is 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine.
What is the SMILES notation for 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine?
The canonical SMILES for 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine is CC(C)C1CCN(CC#CC#CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine?
The InChIKey is WYIVULGTSJHASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-18(2)21-11-14-22(15-12-21)13-7-5-6-8-20-9-16-23(17-10-20)19(3)4/h18-21H,9-17H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine?
1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine has a molecular weight of 314.52 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[5-(4-propan-2-ylpiperidin-1-yl)penta-1,3-diynyl]piperidine is sourced from PubChem (CID 168980312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).