(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine

C12H20N4 — CID 22689446

IUPAC(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H20N4/c1-11(13)10-15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5,11H,6-10,13H2,1H3/t11-/m0/s1
InChIKeyKKCXGGYMMFWODE-NSHDSACASA-N
MW220.32 g/mol
LogP0.55
Rot. Bonds3

About (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine

(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine (PubChem CID 22689446) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
PubChem CID22689446
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H20N4/c1-11(13)10-15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5,11H,6-10,13H2,1H3/t11-/m0/s1
InChIKeyKKCXGGYMMFWODE-NSHDSACASA-N
XLogP0.55
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine
CID 107473060
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71157049
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
3,3,3-trifluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]propanethioamide
CID 103368489
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine (CID 22689446) is (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine is C[C@H](N)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
The InChIKey is KKCXGGYMMFWODE-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4/c1-11(13)10-15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5,11H,6-10,13H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine has a molecular weight of 220.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 22689446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).