[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone

C21H29N3O2 — CID 135115065

IUPAC[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone
SMILESCN(C)CC1(O)CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1
InChIInChI=1S/C21H29N3O2/c1-22(2)15-21(26)11-13-24(14-12-21)20(25)18-9-10-19(23(3)4)17-8-6-5-7-16(17)18/h5-10,26H,11-15H2,1-4H3
InChIKeyAZEJNTIWDXPVKL-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.43
Rot. Bonds4

About [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone

[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone (PubChem CID 135115065) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone
PubChem CID135115065
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone
SMILESCN(C)CC1(O)CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1
InChIInChI=1S/C21H29N3O2/c1-22(2)15-21(26)11-13-24(14-12-21)20(25)18-9-10-19(23(3)4)17-8-6-5-7-16(17)18/h5-10,26H,11-15H2,1-4H3
InChIKeyAZEJNTIWDXPVKL-UHFFFAOYSA-N
XLogP2.43
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4S)-4-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone
CID 118762918
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 77092444
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(2-phenoxyphenyl)methanone
CID 70737813
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 95713243
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124996348
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-5-phenylpentan-1-one
CID 95720649
4-(dimethylamino)naphthalene-1-carboxylate
CID 7005026
1-[4-(dimethylamino)naphthalene-1-carbonyl]cyclohexane-1-carboxylic acid
CID 70131556
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 56910649
1-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-2-[4-(dimethylamino)phenyl]ethanone
CID 95895025
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone?
The IUPAC name of [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone (CID 135115065) is [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone is CN(C)CC1(O)CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone?
The InChIKey is AZEJNTIWDXPVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-22(2)15-21(26)11-13-24(14-12-21)20(25)18-9-10-19(23(3)4)17-8-6-5-7-16(17)18/h5-10,26H,11-15H2,1-4H3.
What are the key properties of [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone?
[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone has a molecular weight of 355.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone is sourced from PubChem (CID 135115065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).