4-[(3,4-dimethylanilino)methyl]piperidin-4-ol

C14H22N2O — CID 56773890

IUPAC4-[(3,4-dimethylanilino)methyl]piperidin-4-ol
SMILESCc1ccc(NCC2(O)CCNCC2)cc1C
InChIInChI=1S/C14H22N2O/c1-11-3-4-13(9-12(11)2)16-10-14(17)5-7-15-8-6-14/h3-4,9,15-17H,5-8,10H2,1-2H3
InChIKeyMGJBGAZULFDMKO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.83
Rot. Bonds3

About 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol

4-[(3,4-dimethylanilino)methyl]piperidin-4-ol (PubChem CID 56773890) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3,4-dimethylanilino)methyl]piperidin-4-ol
PubChem CID56773890
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(3,4-dimethylanilino)methyl]piperidin-4-ol
SMILESCc1ccc(NCC2(O)CCNCC2)cc1C
InChIInChI=1S/C14H22N2O/c1-11-3-4-13(9-12(11)2)16-10-14(17)5-7-15-8-6-14/h3-4,9,15-17H,5-8,10H2,1-2H3
InChIKeyMGJBGAZULFDMKO-UHFFFAOYSA-N
XLogP1.83
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol (CID 56773890) is 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol is Cc1ccc(NCC2(O)CCNCC2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol?
The InChIKey is MGJBGAZULFDMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-4-13(9-12(11)2)16-10-14(17)5-7-15-8-6-14/h3-4,9,15-17H,5-8,10H2,1-2H3.
What are the key properties of 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol?
4-[(3,4-dimethylanilino)methyl]piperidin-4-ol has a molecular weight of 234.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylanilino)methyl]piperidin-4-ol is sourced from PubChem (CID 56773890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).