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

C14H23N3 — CID 93283678

IUPAC(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccnc1)C1CCN(C)CC1
InChIInChI=1S/C14H23N3/c1-12(14-5-8-17(2)9-6-14)16-11-13-4-3-7-15-10-13/h3-4,7,10,12,14,16H,5-6,8-9,11H2,1-2H3/t12-/m0/s1
InChIKeyVWQKLAYZXSJJQR-LBPRGKRZSA-N
MW233.36 g/mol
LogP1.90
Rot. Bonds4

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

(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 93283678) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID93283678
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccnc1)C1CCN(C)CC1
InChIInChI=1S/C14H23N3/c1-12(14-5-8-17(2)9-6-14)16-11-13-4-3-7-15-10-13/h3-4,7,10,12,14,16H,5-6,8-9,11H2,1-2H3/t12-/m0/s1
InChIKeyVWQKLAYZXSJJQR-LBPRGKRZSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43664751
3-[1-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 122572025
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 113262339
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117
1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 54901970
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 93283678) is (1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine is C[C@H](NCc1cccnc1)C1CCN(C)CC1.
What is the InChIKey of (1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is VWQKLAYZXSJJQR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(14-5-8-17(2)9-6-14)16-11-13-4-3-7-15-10-13/h3-4,7,10,12,14,16H,5-6,8-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 93283678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).