1-pent-4-ynyl-4-propan-2-ylpiperazine

C12H22N2 — CID 90177034

IUPAC1-pent-4-ynyl-4-propan-2-ylpiperazine
SMILESC#CCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2/c1-4-5-6-7-13-8-10-14(11-9-13)12(2)3/h1,12H,5-11H2,2-3H3
InChIKeyMNZATCCDKBJRFM-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.43
Rot. Bonds4

About 1-pent-4-ynyl-4-propan-2-ylpiperazine

1-pent-4-ynyl-4-propan-2-ylpiperazine (PubChem CID 90177034) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-pent-4-ynyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-pent-4-ynyl-4-propan-2-ylpiperazine
PubChem CID90177034
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-pent-4-ynyl-4-propan-2-ylpiperazine
SMILESC#CCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2/c1-4-5-6-7-13-8-10-14(11-9-13)12(2)3/h1,12H,5-11H2,2-3H3
InChIKeyMNZATCCDKBJRFM-UHFFFAOYSA-N
XLogP1.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-pent-4-ynylpiperazine
CID 23446116
1-pent-4-ynylpyrrolidine
CID 82363312
1-pent-4-ynyl-4-propan-2-ylpiperidine
CID 103878594
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
CID 115872596
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
1-(4-pent-4-ynylpiperazin-1-yl)ethanone
CID 115872696
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-pent-4-ynyl-4-propan-2-ylpiperazine (CID 90177034) is 1-pent-4-ynyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-pent-4-ynyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-pent-4-ynyl-4-propan-2-ylpiperazine is C#CCCCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-pent-4-ynyl-4-propan-2-ylpiperazine?
The InChIKey is MNZATCCDKBJRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-6-7-13-8-10-14(11-9-13)12(2)3/h1,12H,5-11H2,2-3H3.
What are the key properties of 1-pent-4-ynyl-4-propan-2-ylpiperazine?
1-pent-4-ynyl-4-propan-2-ylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 90177034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).