(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine

C14H23N3 — CID 83127547

IUPAC(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCCC(C)(C)C2)cn1
InChIInChI=1S/C14H23N3/c1-11(15)13-6-5-12(9-16-13)17-8-4-7-14(2,3)10-17/h5-6,9,11H,4,7-8,10,15H2,1-3H3/t11-/m0/s1
InChIKeyKREXNZYMSTZNJB-NSHDSACASA-N
MW233.36 g/mol
LogP2.73
Rot. Bonds2

About (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine

(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83127547) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine
PubChem CID83127547
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CCCC(C)(C)C2)cn1
InChIInChI=1S/C14H23N3/c1-11(15)13-6-5-12(9-16-13)17-8-4-7-14(2,3)10-17/h5-6,9,11H,4,7-8,10,15H2,1-3H3/t11-/m0/s1
InChIKeyKREXNZYMSTZNJB-NSHDSACASA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
(1S)-1-[5-(2,2-dimethylpyrrolidin-1-yl)-2-pyridinyl]ethanamine
CID 83127057
1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584521
(1S)-1-[5-(1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 83122995
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 83122852
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 83122934
(1S)-1-[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 107455795
(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
CID 83127542
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375
2-(2,4-dimethylpentan-3-yl)-5-piperidin-1-ylpyridine
CID 165372455
1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 114083488

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine (CID 83127547) is (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(N2CCCC(C)(C)C2)cn1.
What is the InChIKey of (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is KREXNZYMSTZNJB-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3/c1-11(15)13-6-5-12(9-16-13)17-8-4-7-14(2,3)10-17/h5-6,9,11H,4,7-8,10,15H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine?
(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).