N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine

C22H27N3O2 — CID 45169153

IUPACN-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine
SMILESCOc1ccc2c(c1)C=C(CNC1CCCN(Cc3ccccn3)C1)CO2
InChIInChI=1S/C22H27N3O2/c1-26-21-7-8-22-18(12-21)11-17(16-27-22)13-24-20-6-4-10-25(15-20)14-19-5-2-3-9-23-19/h2-3,5,7-9,11-12,20,24H,4,6,10,13-16H2,1H3
InChIKeyWWYVRCDLOZDNPT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.12
Rot. Bonds6

About N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine

N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine (PubChem CID 45169153) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine
PubChem CID45169153
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine
SMILESCOc1ccc2c(c1)C=C(CNC1CCCN(Cc3ccccn3)C1)CO2
InChIInChI=1S/C22H27N3O2/c1-26-21-7-8-22-18(12-21)11-17(16-27-22)13-24-20-6-4-10-25(15-20)14-19-5-2-3-9-23-19/h2-3,5,7-9,11-12,20,24H,4,6,10,13-16H2,1H3
InChIKeyWWYVRCDLOZDNPT-UHFFFAOYSA-N
XLogP3.12
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551899
(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
CID 51633437
(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 25459202
2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine
CID 92615747
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 172891896
1-(4-methoxyphenyl)-4-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 30674071
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
(3R,4S)-3-ethyl-1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-methylpiperidin-4-ol
CID 133120080
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine?
The IUPAC name of N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine (CID 45169153) is N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine is COc1ccc2c(c1)C=C(CNC1CCCN(Cc3ccccn3)C1)CO2.
What is the InChIKey of N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine?
The InChIKey is WWYVRCDLOZDNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-26-21-7-8-22-18(12-21)11-17(16-27-22)13-24-20-6-4-10-25(15-20)14-19-5-2-3-9-23-19/h2-3,5,7-9,11-12,20,24H,4,6,10,13-16H2,1H3.
What are the key properties of N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine?
N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine has a molecular weight of 365.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 45169153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).