(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine

C12H19N3 — CID 79022376

IUPAC(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C12H19N3/c1-10(13)11-5-6-12(14-9-11)15-7-3-2-4-8-15/h5-6,9-10H,2-4,7-8,13H2,1H3/t10-/m0/s1
InChIKeyAYBWPAXQOALFDK-JTQLQIEISA-N
MW205.31 g/mol
LogP2.09
Rot. Bonds2

About (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine

(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine (PubChem CID 79022376) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
PubChem CID79022376
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C12H19N3/c1-10(13)11-5-6-12(14-9-11)15-7-3-2-4-8-15/h5-6,9-10H,2-4,7-8,13H2,1H3/t10-/m0/s1
InChIKeyAYBWPAXQOALFDK-JTQLQIEISA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
(1R)-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-amine
CID 124502902
(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114237247
1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876737
2-amino-1-(6-piperidin-1-yl-3-pyridinyl)ethanol
CID 83890136
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
CID 102546754
1-[6-(2,2,6,6-tetramethylmorpholin-4-yl)-3-pyridinyl]ethanamine
CID 102744252
1-[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]ethanamine
CID 102726770
N-[[1-[5-(1-aminoethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736472
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736481
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102958961
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine (CID 79022376) is (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine is C[C@H](N)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine?
The InChIKey is AYBWPAXQOALFDK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3/c1-10(13)11-5-6-12(14-9-11)15-7-3-2-4-8-15/h5-6,9-10H,2-4,7-8,13H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine?
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine has a molecular weight of 205.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine is sourced from PubChem (CID 79022376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).