1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine

C14H27N3 — CID 117025043

IUPAC1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine
SMILESC=CCN1CCC(N2CCNCC2)C(C)(C)C1
InChIInChI=1S/C14H27N3/c1-4-8-16-9-5-13(14(2,3)12-16)17-10-6-15-7-11-17/h4,13,15H,1,5-12H2,2-3H3
InChIKeyGKZZGJMERMPNSY-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.18
Rot. Bonds3

About 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine

1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine (PubChem CID 117025043) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine
PubChem CID117025043
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine
SMILESC=CCN1CCC(N2CCNCC2)C(C)(C)C1
InChIInChI=1S/C14H27N3/c1-4-8-16-9-5-13(14(2,3)12-16)17-10-6-15-7-11-17/h4,13,15H,1,5-12H2,2-3H3
InChIKeyGKZZGJMERMPNSY-UHFFFAOYSA-N
XLogP1.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine
CID 117025050
cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone
CID 115269801
2,2-dimethyl-4-prop-2-enylmorpholine
CID 70009484
1-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)piperazine
CID 117017868
1-(1-cyclopropyl-4,4-dimethylpiperidin-3-yl)piperazine
CID 117025945
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
(1-prop-2-enylpiperidin-4-yl)methanol
CID 60768656
(6,6-dimethyl-4-prop-2-enylmorpholin-2-yl)methanol
CID 114779640
3,3-dimethyl-1-prop-2-enylpiperidin-4-one
CID 117024262
3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane
CID 18186117
4-piperidin-1-yl-1-prop-2-enylpiperidine
CID 51086783
(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine?
The IUPAC name of 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine (CID 117025043) is 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine is C=CCN1CCC(N2CCNCC2)C(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine?
The InChIKey is GKZZGJMERMPNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-8-16-9-5-13(14(2,3)12-16)17-10-6-15-7-11-17/h4,13,15H,1,5-12H2,2-3H3.
What are the key properties of 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine?
1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine has a molecular weight of 237.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine is sourced from PubChem (CID 117025043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).