1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine

C16H31N3 — CID 145401208

IUPAC1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine
SMILESC=CCN1CCC(N2CCN(C(C)C)CC2)C[C@H]1C
InChIInChI=1S/C16H31N3/c1-5-7-18-8-6-16(13-15(18)4)19-11-9-17(10-12-19)14(2)3/h5,14-16H,1,6-13H2,2-4H3/t15-,16?/m1/s1
InChIKeyRFTGVOMGUWUZPG-AAFJCEBUSA-N
MW265.44 g/mol
LogP2.05
Rot. Bonds4

About 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine

1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 145401208) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID145401208
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine
SMILESC=CCN1CCC(N2CCN(C(C)C)CC2)C[C@H]1C
InChIInChI=1S/C16H31N3/c1-5-7-18-8-6-16(13-15(18)4)19-11-9-17(10-12-19)14(2)3/h5,14-16H,1,6-13H2,2-4H3/t15-,16?/m1/s1
InChIKeyRFTGVOMGUWUZPG-AAFJCEBUSA-N
XLogP2.05
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine (CID 145401208) is 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine is C=CCN1CCC(N2CCN(C(C)C)CC2)C[C@H]1C.
What is the InChIKey of 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is RFTGVOMGUWUZPG-AAFJCEBUSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-7-18-8-6-16(13-15(18)4)19-11-9-17(10-12-19)14(2)3/h5,14-16H,1,6-13H2,2-4H3/t15-,16?/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine?
1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 265.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-1-prop-2-enylpiperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 145401208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).