3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol

C15H32N2O — CID 115137861

IUPAC3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
SMILESCC(C)C(CO)NCC(C)(C)C1CCCN(C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)14(10-18)16-11-15(3,4)13-7-6-8-17(5)9-13/h12-14,16,18H,6-11H2,1-5H3
InChIKeyQJDBSMPDYZDDGO-UHFFFAOYSA-N
MW256.43 g/mol
LogP1.96
Rot. Bonds6

About 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol

3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol (PubChem CID 115137861) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
PubChem CID115137861
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
SMILESCC(C)C(CO)NCC(C)(C)C1CCCN(C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)14(10-18)16-11-15(3,4)13-7-6-8-17(5)9-13/h12-14,16,18H,6-11H2,1-5H3
InChIKeyQJDBSMPDYZDDGO-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]-2-(propan-2-ylamino)acetamide
CID 115158389
3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol
CID 115137561
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]propanoic acid
CID 115219677
N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115263731
[2-methyl-2-(1-methylpiperidin-3-yl)propyl]carbamothioic S-acid
CID 115170602
2-hydroxy-2-methyl-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115179064
2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116866531
4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
CID 115149957
2-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,2-diamine
CID 115138420
(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
CID 114983139
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115158615

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol (CID 115137861) is 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol is CC(C)C(CO)NCC(C)(C)C1CCCN(C)C1.
What is the InChIKey of 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol?
The InChIKey is QJDBSMPDYZDDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)14(10-18)16-11-15(3,4)13-7-6-8-17(5)9-13/h12-14,16,18H,6-11H2,1-5H3.
What are the key properties of 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol?
3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol is sourced from PubChem (CID 115137861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).