N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine

C16H27N3 — CID 124753653

IUPACN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
SMILESCc1cnccc1CN(C)CCN1CCCC[C@@H]1C
InChIInChI=1S/C16H27N3/c1-14-12-17-8-7-16(14)13-18(3)10-11-19-9-5-4-6-15(19)2/h7-8,12,15H,4-6,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyMKPSSQAEVZBFGP-HNNXBMFYSA-N
MW261.41 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine

N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine (PubChem CID 124753653) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
PubChem CID124753653
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
SMILESCc1cnccc1CN(C)CCN1CCCC[C@@H]1C
InChIInChI=1S/C16H27N3/c1-14-12-17-8-7-16(14)13-18(3)10-11-19-9-5-4-6-15(19)2/h7-8,12,15H,4-6,9-11,13H2,1-3H3/t15-/m0/s1
InChIKeyMKPSSQAEVZBFGP-HNNXBMFYSA-N
XLogP2.70
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 46984007
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
CID 50952219
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124754878
N-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(1H-pyrazol-4-yl)ethanamine
CID 124751623
2-N,4-N-dimethyl-2-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2,4-diamine
CID 95127807
2-N,4-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrimidine-2,4-diamine
CID 50963898
3-(2-methylphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]-1-(pyridin-4-ylmethyl)urea
CID 42700766
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylmethanamine
CID 50950146
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242775
N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine
CID 50983919
N-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]thian-4-amine
CID 95147822
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine (CID 124753653) is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine is Cc1cnccc1CN(C)CCN1CCCC[C@@H]1C.
What is the InChIKey of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is MKPSSQAEVZBFGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14-12-17-8-7-16(14)13-18(3)10-11-19-9-5-4-6-15(19)2/h7-8,12,15H,4-6,9-11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 124753653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).