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

C14H30N2O — CID 66453045

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-12(17)14(2,3)11-16-8-6-13(7-9-16)10-15(4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyLLQCPBDBPNDQCZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.67
Rot. Bonds5

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

4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 66453045) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID66453045
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-12(17)14(2,3)11-16-8-6-13(7-9-16)10-15(4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyLLQCPBDBPNDQCZ-UHFFFAOYSA-N
XLogP1.67
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454127
2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
CID 64828333
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 65000008
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454779
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64828332
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 66455203
3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 66452170
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
CID 62258867
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-methylbutanal
CID 62278515
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 103429730
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol (CID 66453045) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol is CC(O)C(C)(C)CN1CCC(CN(C)C)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is LLQCPBDBPNDQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(17)14(2,3)11-16-8-6-13(7-9-16)10-15(4)5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66453045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).