[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride

C16H25Cl2N3O2 — CID 119858151

IUPAC[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)N2CCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C16H23N3O2.2ClH/c17-11-13-1-3-14(4-2-13)16(20)19-6-5-15(12-19)18-7-9-21-10-8-18;;/h1-4,15H,5-12,17H2;2*1H
InChIKeyDWZBNIJVWQAKET-UHFFFAOYSA-N
MW362.30 g/mol
LogP1.54
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride

[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride (PubChem CID 119858151) has the molecular formula C16H25Cl2N3O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
PubChem CID119858151
Molecular FormulaC16H25Cl2N3O2
Molecular Weight362.30 g/mol
Exact Mass361.13
IUPAC Name[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)N2CCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C16H23N3O2.2ClH/c17-11-13-1-3-14(4-2-13)16(20)19-6-5-15(12-19)18-7-9-21-10-8-18;;/h1-4,15H,5-12,17H2;2*1H
InChIKeyDWZBNIJVWQAKET-UHFFFAOYSA-N
XLogP1.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 60947643
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119277068
(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 107075249
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168351
(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
CID 121451758
(4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 103873505
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119316814
(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 25031425
2-[4-(aminomethyl)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63591390
(3-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride (CID 119858151) is [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride is Cl.Cl.NCc1ccc(C(=O)N2CCC(N3CCOCC3)C2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride?
The InChIKey is DWZBNIJVWQAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.2ClH/c17-11-13-1-3-14(4-2-13)16(20)19-6-5-15(12-19)18-7-9-21-10-8-18;;/h1-4,15H,5-12,17H2;2*1H.
What are the key properties of [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride?
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride has a molecular weight of 362.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119858151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).