1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine

C14H24N4 — CID 83127877

IUPAC1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
SMILESC[C@H](N)c1ccc(N2CCCC(N(C)C)C2)cn1
InChIInChI=1S/C14H24N4/c1-11(15)14-7-6-12(9-16-14)18-8-4-5-13(10-18)17(2)3/h6-7,9,11,13H,4-5,8,10,15H2,1-3H3/t11-,13?/m0/s1
InChIKeyOJRKCGMQWDLXFM-AMGKYWFPSA-N
MW248.37 g/mol
LogP1.63
Rot. Bonds3

About 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine

1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 83127877) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
PubChem CID83127877
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
SMILESC[C@H](N)c1ccc(N2CCCC(N(C)C)C2)cn1
InChIInChI=1S/C14H24N4/c1-11(15)14-7-6-12(9-16-14)18-8-4-5-13(10-18)17(2)3/h6-7,9,11,13H,4-5,8,10,15H2,1-3H3/t11-,13?/m0/s1
InChIKeyOJRKCGMQWDLXFM-AMGKYWFPSA-N
XLogP1.63
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine (CID 83127877) is 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine is C[C@H](N)c1ccc(N2CCCC(N(C)C)C2)cn1.
What is the InChIKey of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is OJRKCGMQWDLXFM-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(15)14-7-6-12(9-16-14)18-8-4-5-13(10-18)17(2)3/h6-7,9,11,13H,4-5,8,10,15H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine?
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 83127877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).