ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine

C16H32N4 — CID 176984725

IUPACethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine
SMILESCC.CCCn1cc(CN2CCC(C(C)C)CC2)nn1
InChIInChI=1S/C14H26N4.C2H6/c1-4-7-18-11-14(15-16-18)10-17-8-5-13(6-9-17)12(2)3;1-2/h11-13H,4-10H2,1-3H3;1-2H3
InChIKeyPEZXSJOVLVNUDA-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.58
Rot. Bonds5

About ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine

ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine (PubChem CID 176984725) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Nameethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine
PubChem CID176984725
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Nameethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine
SMILESCC.CCCn1cc(CN2CCC(C(C)C)CC2)nn1
InChIInChI=1S/C14H26N4.C2H6/c1-4-7-18-11-14(15-16-18)10-17-8-5-13(6-9-17)12(2)3;1-2/h11-13H,4-10H2,1-3H3;1-2H3
InChIKeyPEZXSJOVLVNUDA-UHFFFAOYSA-N
XLogP3.58
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
1-[(4-ethyltriazol-1-yl)methyl]-4-propan-2-ylpiperidine
CID 176985939
4-(2-methylpropyl)-1-propyltriazole
CID 89029688
2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
4-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 158632737
4-[(1-ethyltriazol-4-yl)methyl]morpholine
CID 171649254
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421519
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
ethane;4-(2-propan-2-yloxyethoxy)-1-[(1-propan-2-yltriazol-4-yl)methyl]piperidine
CID 154684238
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62427489
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine?
The IUPAC name of ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine (CID 176984725) is ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine is CC.CCCn1cc(CN2CCC(C(C)C)CC2)nn1.
What is the InChIKey of ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine?
The InChIKey is PEZXSJOVLVNUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4.C2H6/c1-4-7-18-11-14(15-16-18)10-17-8-5-13(6-9-17)12(2)3;1-2/h11-13H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine?
ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine has a molecular weight of 280.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 176984725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).