2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol

C10H22N2O — CID 154950670

IUPAC2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol
SMILESCC(C)C(O)NC1CCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-8(2)10(13)11-9-4-6-12(3)7-5-9/h8-11,13H,4-7H2,1-3H3
InChIKeySZOPEUJLZWAPCR-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.64
Rot. Bonds3

About 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol

2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol (PubChem CID 154950670) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol
PubChem CID154950670
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol
SMILESCC(C)C(O)NC1CCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-8(2)10(13)11-9-4-6-12(3)7-5-9/h8-11,13H,4-7H2,1-3H3
InChIKeySZOPEUJLZWAPCR-UHFFFAOYSA-N
XLogP0.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287
N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine
CID 65047718
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
2-hydroxy-N-(1-methylpiperidin-4-yl)propanamide
CID 115140450
4-methyl-1-[(1-methylpiperidin-4-yl)amino]pent-3-en-1-ol
CID 146386676
N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine
CID 131048505
N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
CID 65075295
3-[(1-methylpiperidin-4-yl)amino]butanamide
CID 115572762
2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile
CID 130709605
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
N-heptan-4-yl-1-methylpiperidin-4-amine
CID 43373353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol (CID 154950670) is 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol is CC(C)C(O)NC1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol?
The InChIKey is SZOPEUJLZWAPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)10(13)11-9-4-6-12(3)7-5-9/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol?
2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 154950670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).