(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol

C18H25N3O — CID 95897724

IUPAC(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
SMILESCN(C)C[C@]1(O)CCCN(Cc2cccc3ncccc23)C1
InChIInChI=1S/C18H25N3O/c1-20(2)13-18(22)9-5-11-21(14-18)12-15-6-3-8-17-16(15)7-4-10-19-17/h3-4,6-8,10,22H,5,9,11-14H2,1-2H3/t18-/m1/s1
InChIKeyDNMFLXARCJWCAG-GOSISDBHSA-N
MW299.42 g/mol
LogP2.12
Rot. Bonds4

About (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol

(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol (PubChem CID 95897724) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
PubChem CID95897724
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
SMILESCN(C)C[C@]1(O)CCCN(Cc2cccc3ncccc23)C1
InChIInChI=1S/C18H25N3O/c1-20(2)13-18(22)9-5-11-21(14-18)12-15-6-3-8-17-16(15)7-4-10-19-17/h3-4,6-8,10,22H,5,9,11-14H2,1-2H3/t18-/m1/s1
InChIKeyDNMFLXARCJWCAG-GOSISDBHSA-N
XLogP2.12
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 77081860
(4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[(dimethylamino)methyl]azepan-4-ol
CID 95730390
2-[1-[(2-amino-3-pyridinyl)methyl]-3-hydroxypiperidin-3-yl]-N,N-dimethylacetamide
CID 167822220
1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 77097788
7-methyl-2-(quinolin-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45192042
3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol
CID 70748363
(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol
CID 95882427
4-(quinolin-5-ylmethyl)-1,4-oxazepane
CID 29183639
1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 56916014
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol
CID 95889308
(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 95871785
3-(hydroxymethyl)-1-[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]piperidin-3-ol
CID 70739274

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol (CID 95897724) is (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol is CN(C)C[C@]1(O)CCCN(Cc2cccc3ncccc23)C1.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol?
The InChIKey is DNMFLXARCJWCAG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20(2)13-18(22)9-5-11-21(14-18)12-15-6-3-8-17-16(15)7-4-10-19-17/h3-4,6-8,10,22H,5,9,11-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol?
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol has a molecular weight of 299.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 95897724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).