1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol

C16H34N2O — CID 114496950

IUPAC1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-13(2)16(6,19)12-18-9-7-14(8-10-18)11-17-15(3,4)5/h13-14,17,19H,7-12H2,1-6H3
InChIKeyGVBLXZDBSAVZLB-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.49
Rot. Bonds5

About 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol

1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol (PubChem CID 114496950) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
PubChem CID114496950
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-13(2)16(6,19)12-18-9-7-14(8-10-18)11-17-15(3,4)5/h13-14,17,19H,7-12H2,1-6H3
InChIKeyGVBLXZDBSAVZLB-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496429
2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496943
3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol
CID 114496949
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114491211
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
CID 63848432
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol (CID 114496950) is 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CN1CCC(CNC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol?
The InChIKey is GVBLXZDBSAVZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)16(6,19)12-18-9-7-14(8-10-18)11-17-15(3,4)5/h13-14,17,19H,7-12H2,1-6H3.
What are the key properties of 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol?
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114496950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).