N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate

C19H27N3O — CID 67789872

IUPACN-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate
SMILESO.c1ccc(N(CCN2CCCCC2)Cc2ccccn2)cc1
InChIInChI=1S/C19H25N3.H2O/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21;/h1,3-6,9-12H,2,7-8,13-17H2;1H2
InChIKeySKHNAJFUQRKREZ-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.75
Rot. Bonds6

About N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate

N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate (PubChem CID 67789872) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate
PubChem CID67789872
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate
SMILESO.c1ccc(N(CCN2CCCCC2)Cc2ccccn2)cc1
InChIInChI=1S/C19H25N3.H2O/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21;/h1,3-6,9-12H,2,7-8,13-17H2;1H2
InChIKeySKHNAJFUQRKREZ-UHFFFAOYSA-N
XLogP2.75
TPSA50.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329917
N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
3-[N-(pyridin-2-ylmethyl)anilino]propanethioamide
CID 24711207
N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline
CID 134927135
1-phenyl-1-(2-piperidin-1-ylethyl)hydrazine
CID 3028753
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide
CID 24708680
2-(2-pyrrolidin-1-ylethoxymethyl)pyridine
CID 163407284
N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 23882701
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 141003031
N-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 91503800

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate?
The IUPAC name of N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate (CID 67789872) is N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate is O.c1ccc(N(CCN2CCCCC2)Cc2ccccn2)cc1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate?
The InChIKey is SKHNAJFUQRKREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3.H2O/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21;/h1,3-6,9-12H,2,7-8,13-17H2;1H2.
What are the key properties of N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate?
N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate has a molecular weight of 313.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate is sourced from PubChem (CID 67789872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).