2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine

C14H23N3 — CID 115615049

IUPAC2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCN1CCC(CCNCc2cccnc2)CC1
InChIInChI=1S/C14H23N3/c1-17-9-5-13(6-10-17)4-8-16-12-14-3-2-7-15-11-14/h2-3,7,11,13,16H,4-6,8-10,12H2,1H3
InChIKeyYZNDVTFWGMYWMZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.90
Rot. Bonds5

About 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 115615049) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID115615049
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCN1CCC(CCNCc2cccnc2)CC1
InChIInChI=1S/C14H23N3/c1-17-9-5-13(6-10-17)4-8-16-12-14-3-2-7-15-11-14/h2-3,7,11,13,16H,4-6,8-10,12H2,1H3
InChIKeyYZNDVTFWGMYWMZ-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615117
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515582
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115653390
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515349
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515163
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115614958
1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 54920855

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 115615049) is 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine is CN1CCC(CCNCc2cccnc2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is YZNDVTFWGMYWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17-9-5-13(6-10-17)4-8-16-12-14-3-2-7-15-11-14/h2-3,7,11,13,16H,4-6,8-10,12H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115615049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).