3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol

C15H32N2O — CID 114681883

IUPAC3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol
SMILESCCCNCC(C)(CC)CN1CCC(O)C(C)C1
InChIInChI=1S/C15H32N2O/c1-5-8-16-11-15(4,6-2)12-17-9-7-14(18)13(3)10-17/h13-14,16,18H,5-12H2,1-4H3
InChIKeyQLEKRYZTMBPABN-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.11
Rot. Bonds7

About 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol

3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol (PubChem CID 114681883) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol
PubChem CID114681883
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol
SMILESCCCNCC(C)(CC)CN1CCC(O)C(C)C1
InChIInChI=1S/C15H32N2O/c1-5-8-16-11-15(4,6-2)12-17-9-7-14(18)13(3)10-17/h13-14,16,18H,5-12H2,1-4H3
InChIKeyQLEKRYZTMBPABN-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol
CID 114681903
1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
CID 55131551
1-[2-ethyl-2-(propylaminomethyl)butyl]-4-methylpiperidin-3-ol
CID 102966934
2-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-N-propylbutan-1-amine
CID 62263159
2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol
CID 82690867
1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
CID 112629152
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62257595
1-[3-(ethylamino)-2,2-dimethylbutyl]-3-methylpiperidin-4-ol
CID 114681950
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine
CID 62776591
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
CID 62943597
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 114502582

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol (CID 114681883) is 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol is CCCNCC(C)(CC)CN1CCC(O)C(C)C1.
What is the InChIKey of 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol?
The InChIKey is QLEKRYZTMBPABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-8-16-11-15(4,6-2)12-17-9-7-14(18)13(3)10-17/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol?
3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol has a molecular weight of 256.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol is sourced from PubChem (CID 114681883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).