2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine

C12H25N3 — CID 112546685

IUPAC2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCCN2)CC1C
InChIInChI=1S/C12H25N3/c1-10(2)15-8-7-14(9-11(15)3)12-5-4-6-13-12/h10-13H,4-9H2,1-3H3
InChIKeyWPDTVUVZZHNEHQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.11
Rot. Bonds2

About 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine

2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine (PubChem CID 112546685) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine
PubChem CID112546685
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCCN2)CC1C
InChIInChI=1S/C12H25N3/c1-10(2)15-8-7-14(9-11(15)3)12-5-4-6-13-12/h10-13H,4-9H2,1-3H3
InChIKeyWPDTVUVZZHNEHQ-UHFFFAOYSA-N
XLogP1.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-4-piperidin-2-ylpiperazine
CID 112546464
1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane
CID 115102287
3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
CID 112546665
1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine
CID 129370918
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
7-methyl-1-propan-2-yl-1,4-diazepane
CID 64871378
2-methyl-1-propan-2-ylazepane
CID 66910895
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291275
1-pyrrolidin-2-ylazetidin-3-ol
CID 67354372
2-(4-methylpiperazin-1-yl)azepane
CID 57005564
(6S)-6-methyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 172615572

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine?
The IUPAC name of 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine (CID 112546685) is 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine.
What is the SMILES notation for 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine?
The canonical SMILES for 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine is CC(C)N1CCN(C2CCCN2)CC1C.
What is the InChIKey of 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine?
The InChIKey is WPDTVUVZZHNEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)15-8-7-14(9-11(15)3)12-5-4-6-13-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine?
2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine has a molecular weight of 211.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine is sourced from PubChem (CID 112546685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).