1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine

C15H25N3 — CID 81407226

IUPAC1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1N[C@H](C)c1cccnc1
InChIInChI=1S/C15H25N3/c1-11-10-18(4)12(2)8-15(11)17-13(3)14-6-5-7-16-9-14/h5-7,9,11-13,15,17H,8,10H2,1-4H3/t11?,12?,13-,15?/m1/s1
InChIKeyHIYPXTCFTSGRTJ-PYYBWGNESA-N
MW247.39 g/mol
LogP2.46
Rot. Bonds3

About 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine

1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine (PubChem CID 81407226) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine
PubChem CID81407226
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1N[C@H](C)c1cccnc1
InChIInChI=1S/C15H25N3/c1-11-10-18(4)12(2)8-15(11)17-13(3)14-6-5-7-16-9-14/h5-7,9,11-13,15,17H,8,10H2,1-4H3/t11?,12?,13-,15?/m1/s1
InChIKeyHIYPXTCFTSGRTJ-PYYBWGNESA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81406468
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 81368219
N-[1-(4-ethylphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43684158
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364766
1,2,5-trimethyl-N-(1-phenylpropyl)piperidin-4-amine
CID 62305036
2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine
CID 102671440
N-[(1R)-1-pyridin-3-ylethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81407323
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
CID 102733105
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine (CID 81407226) is 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine is CC1CN(C)C(C)CC1N[C@H](C)c1cccnc1.
What is the InChIKey of 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine?
The InChIKey is HIYPXTCFTSGRTJ-PYYBWGNESA-N. The full InChI is InChI=1S/C15H25N3/c1-11-10-18(4)12(2)8-15(11)17-13(3)14-6-5-7-16-9-14/h5-7,9,11-13,15,17H,8,10H2,1-4H3/t11?,12?,13-,15?/m1/s1.
What are the key properties of 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine?
1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine is sourced from PubChem (CID 81407226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).