2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol

C15H32N2O — CID 114496943

IUPAC2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol
SMILESCCCNCC1CCN(CC(C)(O)C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-5-8-16-11-14-6-9-17(10-7-14)12-15(4,18)13(2)3/h13-14,16,18H,5-12H2,1-4H3
InChIKeyYZOLKILUQAHTQC-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.11
Rot. Bonds7

About 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol

2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol (PubChem CID 114496943) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol
PubChem CID114496943
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol
SMILESCCCNCC1CCN(CC(C)(O)C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-5-8-16-11-14-6-9-17(10-7-14)12-15(4,18)13(2)3/h13-14,16,18H,5-12H2,1-4H3
InChIKeyYZOLKILUQAHTQC-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

2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496429
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114496950
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114491211
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
N-[[1-(4,4-dimethylpent-2-ynyl)piperidin-4-yl]methyl]propan-1-amine
CID 114190436
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol (CID 114496943) is 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol is CCCNCC1CCN(CC(C)(O)C(C)C)CC1.
What is the InChIKey of 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol?
The InChIKey is YZOLKILUQAHTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-8-16-11-14-6-9-17(10-7-14)12-15(4,18)13(2)3/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol?
2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-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 2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 114496943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).