1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine

C16H31N3 — CID 167125945

IUPAC1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
SMILESC=C(C)N1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H31N3/c1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4/h15-16H,1,5-13H2,2-4H3
InChIKeyOMBDDOUBIPEEQW-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.26
Rot. Bonds4

About 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine

1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 167125945) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID167125945
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
SMILESC=C(C)N1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H31N3/c1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4/h15-16H,1,5-13H2,2-4H3
InChIKeyOMBDDOUBIPEEQW-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine
CID 170613106
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
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
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
2,2,4,4-tetramethyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-one
CID 163269367
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-4-propoxybutan-1-one
CID 156820393
4-ethyl-1-prop-1-en-2-ylpiperidine
CID 142170735

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine (CID 167125945) is 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine is C=C(C)N1CCC(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is OMBDDOUBIPEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4/h15-16H,1,5-13H2,2-4H3.
What are the key properties of 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine?
1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 265.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 167125945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).