N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine

C17H27N3 — CID 155453409

IUPACN-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine
SMILESC=C(NC(C)C)[C@H]1CCC[C@@H](c2ncccc2C)N1C
InChIInChI=1S/C17H27N3/c1-12(2)19-14(4)15-9-6-10-16(20(15)5)17-13(3)8-7-11-18-17/h7-8,11-12,15-16,19H,4,6,9-10H2,1-3,5H3/t15-,16+/m1/s1
InChIKeyKNKPKUSAEYTJCZ-CVEARBPZSA-N
MW273.42 g/mol
LogP3.43
Rot. Bonds4

About N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine

N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine (PubChem CID 155453409) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine
PubChem CID155453409
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine
SMILESC=C(NC(C)C)[C@H]1CCC[C@@H](c2ncccc2C)N1C
InChIInChI=1S/C17H27N3/c1-12(2)19-14(4)15-9-6-10-16(20(15)5)17-13(3)8-7-11-18-17/h7-8,11-12,15-16,19H,4,6,9-10H2,1-3,5H3/t15-,16+/m1/s1
InChIKeyKNKPKUSAEYTJCZ-CVEARBPZSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenylamino]methyl]carbamate
CID 155453348
2,6-bis(3-methyl-2-pyridinyl)piperidin-1-amine
CID 67421572
3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
CID 170281779
3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine
CID 143224794
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide
CID 155453338
tert-butyl N-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]prop-2-ynyl]carbamate
CID 155453416
N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide
CID 11303546
2-[6-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2-pyridinyl]acetamide
CID 162531904
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine
CID 162531759
3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine
CID 145424448
ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate
CID 162531820

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine?
The IUPAC name of N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine (CID 155453409) is N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine.
What is the SMILES notation for N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine?
The canonical SMILES for N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine is C=C(NC(C)C)[C@H]1CCC[C@@H](c2ncccc2C)N1C.
What is the InChIKey of N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine?
The InChIKey is KNKPKUSAEYTJCZ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(2)19-14(4)15-9-6-10-16(20(15)5)17-13(3)8-7-11-18-17/h7-8,11-12,15-16,19H,4,6,9-10H2,1-3,5H3/t15-,16+/m1/s1.
What are the key properties of N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine?
N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine is sourced from PubChem (CID 155453409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).