1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol

C24H28N2O — CID 45378573

IUPAC1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
SMILESCN(C)c1ccc(C(c2c(O)ccc3ccccc23)N2CCCCC2)cc1
InChIInChI=1S/C24H28N2O/c1-25(2)20-13-10-19(11-14-20)24(26-16-6-3-7-17-26)23-21-9-5-4-8-18(21)12-15-22(23)27/h4-5,8-15,24,27H,3,6-7,16-17H2,1-2H3
InChIKeyYWYSXDGGJDLHST-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.19
Rot. Bonds4

About 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol

1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol (PubChem CID 45378573) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
PubChem CID45378573
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
SMILESCN(C)c1ccc(C(c2c(O)ccc3ccccc23)N2CCCCC2)cc1
InChIInChI=1S/C24H28N2O/c1-25(2)20-13-10-19(11-14-20)24(26-16-6-3-7-17-26)23-21-9-5-4-8-18(21)12-15-22(23)27/h4-5,8-15,24,27H,3,6-7,16-17H2,1-2H3
InChIKeyYWYSXDGGJDLHST-UHFFFAOYSA-N
XLogP5.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethyl]benzonitrile
CID 91273590
1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
CID 135025792
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928
4-[1H-indol-3-yl(piperidin-1-yl)methyl]-N,N-dimethylaniline
CID 110453280
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494
7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol
CID 127028202
2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol
CID 141365807
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
CID 7496456
N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
CID 54609342
1-[(S)-phenyl-[(2S)-2-phenylpyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 139192853
1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 18775206

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol (CID 45378573) is 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol is CN(C)c1ccc(C(c2c(O)ccc3ccccc23)N2CCCCC2)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol?
The InChIKey is YWYSXDGGJDLHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-25(2)20-13-10-19(11-14-20)24(26-16-6-3-7-17-26)23-21-9-5-4-8-18(21)12-15-22(23)27/h4-5,8-15,24,27H,3,6-7,16-17H2,1-2H3.
What are the key properties of 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol?
1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol has a molecular weight of 360.50 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 45378573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).