4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine

C12H23N3O — CID 134321765

IUPAC4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine
SMILESCC1C=CN(C)C[C@H]1OC1CCNCC1N
InChIInChI=1S/C12H23N3O/c1-9-4-6-15(2)8-12(9)16-11-3-5-14-7-10(11)13/h4,6,9-12,14H,3,5,7-8,13H2,1-2H3/t9?,10?,11?,12-/m1/s1
InChIKeyWEZRXQVDEBSOAW-XHUCQOSOSA-N
MW225.34 g/mol
LogP0.16
Rot. Bonds2

About 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine

4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine (PubChem CID 134321765) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine.

Molecular Properties

Compound Name4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine
PubChem CID134321765
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine
SMILESCC1C=CN(C)C[C@H]1OC1CCNCC1N
InChIInChI=1S/C12H23N3O/c1-9-4-6-15(2)8-12(9)16-11-3-5-14-7-10(11)13/h4,6,9-12,14H,3,5,7-8,13H2,1-2H3/t9?,10?,11?,12-/m1/s1
InChIKeyWEZRXQVDEBSOAW-XHUCQOSOSA-N
XLogP0.16
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine?
The IUPAC name of 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine (CID 134321765) is 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine.
What is the SMILES notation for 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine?
The canonical SMILES for 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine is CC1C=CN(C)C[C@H]1OC1CCNCC1N.
What is the InChIKey of 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine?
The InChIKey is WEZRXQVDEBSOAW-XHUCQOSOSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-4-6-15(2)8-12(9)16-11-3-5-14-7-10(11)13/h4,6,9-12,14H,3,5,7-8,13H2,1-2H3/t9?,10?,11?,12-/m1/s1.
What are the key properties of 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine?
4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine has a molecular weight of 225.34 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1,4-dimethyl-3,4-dihydro-2H-pyridin-3-yl]oxy]piperidin-3-amine is sourced from PubChem (CID 134321765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).