1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine

C12H26N2O2 — CID 147502598

IUPAC1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine
SMILESCOCC(COC)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O2/c1-11(2)13-5-7-14(8-6-13)12(9-15-3)10-16-4/h11-12H,5-10H2,1-4H3
InChIKeyFHSCVBLQKSFXNF-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.67
Rot. Bonds6

About 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine

1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine (PubChem CID 147502598) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine
PubChem CID147502598
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine
SMILESCOCC(COC)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O2/c1-11(2)13-5-7-14(8-6-13)12(9-15-3)10-16-4/h11-12H,5-10H2,1-4H3
InChIKeyFHSCVBLQKSFXNF-UHFFFAOYSA-N
XLogP0.67
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 103225740
1-(1,3-dimethoxypropan-2-yl)-4-ethylpiperazine
CID 142443734
1-pentan-3-yl-4-propan-2-yl-1,4-diazepane
CID 168909794
1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
CID 162764220
3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
CID 103225478
4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 43585175
N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883911
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
methoxymethane;1-propan-2-ylazepane
CID 178173420
fluoromethane;1-(1-methoxybutan-2-yl)piperazine
CID 162038929
1-(1-methoxyethenyl)-4-propan-2-yl-1,4-diazepane
CID 118968946
5-methoxy-4-piperidin-1-ylpentan-1-amine
CID 103391620

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine (CID 147502598) is 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine is COCC(COC)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is FHSCVBLQKSFXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2)13-5-7-14(8-6-13)12(9-15-3)10-16-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine?
1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 230.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 147502598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).