3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine

C20H25N3O2 — CID 97270188

IUPAC3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine
SMILESC[C@]1(Cc2ccc3c(c2)OCO3)CCCN(Cc2cccnc2N)C1
InChIInChI=1S/C20H25N3O2/c1-20(11-15-5-6-17-18(10-15)25-14-24-17)7-3-9-23(13-20)12-16-4-2-8-22-19(16)21/h2,4-6,8,10H,3,7,9,11-14H2,1H3,(H2,21,22)/t20-/m1/s1
InChIKeyOHMCUNHPVABKFU-HXUWFJFHSA-N
MW339.44 g/mol
LogP3.24
Rot. Bonds4

About 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine

3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 97270188) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine
PubChem CID97270188
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine
SMILESC[C@]1(Cc2ccc3c(c2)OCO3)CCCN(Cc2cccnc2N)C1
InChIInChI=1S/C20H25N3O2/c1-20(11-15-5-6-17-18(10-15)25-14-24-17)7-3-9-23(13-20)12-16-4-2-8-22-19(16)21/h2,4-6,8,10H,3,7,9,11-14H2,1H3,(H2,21,22)/t20-/m1/s1
InChIKeyOHMCUNHPVABKFU-HXUWFJFHSA-N
XLogP3.24
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 72885223
(3S)-3-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 97123443
(3S)-3-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-[3-(tetrazol-1-yl)propyl]piperidine
CID 97129862
[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-pyridin-4-ylmethanone
CID 72853989
1-[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 97141221
1-[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72879323
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
(3S)-3-(1,3-benzodioxol-5-ylmethyl)-1-(2-ethylpyrazol-3-yl)sulfonyl-3-methylpiperidine
CID 97110453
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97122214
2-[1-[(2-amino-3-pyridinyl)methyl]-3-hydroxypiperidin-3-yl]-N,N-dimethylacetamide
CID 167822220
[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
CID 72855672

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine (CID 97270188) is 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine is C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(Cc2cccnc2N)C1.
What is the InChIKey of 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is OHMCUNHPVABKFU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(11-15-5-6-17-18(10-15)25-14-24-17)7-3-9-23(13-20)12-16-4-2-8-22-19(16)21/h2,4-6,8,10H,3,7,9,11-14H2,1H3,(H2,21,22)/t20-/m1/s1.
What are the key properties of 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine?
3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 339.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 97270188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).