(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine

C10H22N2O — CID 166658455

IUPAC(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
SMILESCOCCCN1CCN(C)[C@@H](C)C1
InChIInChI=1S/C10H22N2O/c1-10-9-12(5-4-8-13-3)7-6-11(10)2/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyQPLFAWAUBCRWHH-JTQLQIEISA-N
MW186.30 g/mol
LogP0.66
Rot. Bonds4

About (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine

(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine (PubChem CID 166658455) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
PubChem CID166658455
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
SMILESCOCCCN1CCN(C)[C@@H](C)C1
InChIInChI=1S/C10H22N2O/c1-10-9-12(5-4-8-13-3)7-6-11(10)2/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyQPLFAWAUBCRWHH-JTQLQIEISA-N
XLogP0.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorobutyl)-1,2-dimethylpiperazine
CID 63635546
(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane
CID 162375653
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957
1-[4-(3-methoxypropyl)-1-methylpiperazin-2-yl]-N-methylmethanamine
CID 117026993
6-(3,4-dimethylpiperazin-1-yl)hexan-2-one
CID 63610626
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586
1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505746
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine?
The IUPAC name of (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine (CID 166658455) is (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine.
What is the SMILES notation for (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine?
The canonical SMILES for (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine is COCCCN1CCN(C)[C@@H](C)C1.
What is the InChIKey of (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine?
The InChIKey is QPLFAWAUBCRWHH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O/c1-10-9-12(5-4-8-13-3)7-6-11(10)2/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine?
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine has a molecular weight of 186.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine is sourced from PubChem (CID 166658455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).