2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol

C16H34N2O — CID 103914568

IUPAC2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-5-16(6-2,13-19)12-17-15-7-9-18(10-8-15)11-14(3)4/h14-15,17,19H,5-13H2,1-4H3
InChIKeyHNUCVKFNFPGNHB-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.50
Rot. Bonds8

About 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol

2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol (PubChem CID 103914568) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
PubChem CID103914568
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-5-16(6-2,13-19)12-17-15-7-9-18(10-8-15)11-14(3)4/h14-15,17,19H,5-13H2,1-4H3
InChIKeyHNUCVKFNFPGNHB-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
CID 114164233
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
N-(2-ethyl-2-methylsulfanylbutyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103787178
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
CID 103904654
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone
CID 81412783
ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
CID 107094633
4-methoxy-2-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103784160
2-[[(1,1-dioxothian-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 81413030
N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115717138
N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115901349

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol (CID 103914568) is 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCN(CC(C)C)CC1.
What is the InChIKey of 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol?
The InChIKey is HNUCVKFNFPGNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-16(6-2,13-19)12-17-15-7-9-18(10-8-15)11-14(3)4/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol?
2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol is sourced from PubChem (CID 103914568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).