1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine

C13H27N3 — CID 64937467

IUPAC1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1C1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-11(2)13-10-14-6-9-16(13)12-4-7-15(3)8-5-12/h11-14H,4-10H2,1-3H3
InChIKeyCYZADPPWWLJBLE-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine

1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine (PubChem CID 64937467) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine
PubChem CID64937467
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1C1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-11(2)13-10-14-6-9-16(13)12-4-7-15(3)8-5-12/h11-14H,4-10H2,1-3H3
InChIKeyCYZADPPWWLJBLE-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-2-propan-2-ylpiperazine
CID 64936518
(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride
CID 130763014
1-(3,3-dimethylcyclopentyl)-2-propan-2-ylpiperazine
CID 114551197
1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine
CID 115101253
4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 82407469
1-(1-methylpiperidin-4-yl)-2-phenylpiperazine
CID 64936522
(2R)-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 94982854
cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82241133
(2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 143708947
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64938438
(2R)-1-cyclopentyl-2-methylpiperazine
CID 79002573

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine (CID 64937467) is 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine is CC(C)C1CNCCN1C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine?
The InChIKey is CYZADPPWWLJBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)13-10-14-6-9-16(13)12-4-7-15(3)8-5-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine?
1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).