1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine

C18H29N3O — CID 126441523

IUPAC1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine
SMILESCc1cccc(N2CCC(NC[C@@H]3CNCCO3)CC2)c1C
InChIInChI=1S/C18H29N3O/c1-14-4-3-5-18(15(14)2)21-9-6-16(7-10-21)20-13-17-12-19-8-11-22-17/h3-5,16-17,19-20H,6-13H2,1-2H3/t17-/m0/s1
InChIKeyIOYIGDKXIKRFDA-KRWDZBQOSA-N
MW303.45 g/mol
LogP1.85
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine

1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine (PubChem CID 126441523) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine
PubChem CID126441523
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine
SMILESCc1cccc(N2CCC(NC[C@@H]3CNCCO3)CC2)c1C
InChIInChI=1S/C18H29N3O/c1-14-4-3-5-18(15(14)2)21-9-6-16(7-10-21)20-13-17-12-19-8-11-22-17/h3-5,16-17,19-20H,6-13H2,1-2H3/t17-/m0/s1
InChIKeyIOYIGDKXIKRFDA-KRWDZBQOSA-N
XLogP1.85
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone
CID 119828406
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine
CID 56705521
N-[1-(2,3-dimethylphenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride
CID 154914797
1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
CID 43245867
6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
CID 56859983
1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid
CID 154907320
2-(2-methylphenyl)-N-(morpholin-2-ylmethyl)acetamide
CID 43602980
1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 163344961
1-[4-(2,3-dimethylphenyl)piperazin-2-yl]-N-methylmethanamine
CID 117026938
1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine
CID 107636284
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119828393
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119828392

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine (CID 126441523) is 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine is Cc1cccc(N2CCC(NC[C@@H]3CNCCO3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine?
The InChIKey is IOYIGDKXIKRFDA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-4-3-5-18(15(14)2)21-9-6-16(7-10-21)20-13-17-12-19-8-11-22-17/h3-5,16-17,19-20H,6-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine?
1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 126441523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).