1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine

C22H31N3OS — CID 30961220

IUPAC1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NC[C@@H](c3cccs3)N3CCOCC3)CC2)cc1
InChIInChI=1S/C22H31N3OS/c1-2-5-19(6-3-1)18-24-10-8-20(9-11-24)23-17-21(22-7-4-16-27-22)25-12-14-26-15-13-25/h1-7,16,20-21,23H,8-15,17-18H2/t21-/m0/s1
InChIKeyINYHDSLJLLDDHF-NRFANRHFSA-N
MW385.58 g/mol
LogP3.38
Rot. Bonds7

About 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine

1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine (PubChem CID 30961220) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine
PubChem CID30961220
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC Name1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NC[C@@H](c3cccs3)N3CCOCC3)CC2)cc1
InChIInChI=1S/C22H31N3OS/c1-2-5-19(6-3-1)18-24-10-8-20(9-11-24)23-17-21(22-7-4-16-27-22)25-12-14-26-15-13-25/h1-7,16,20-21,23H,8-15,17-18H2/t21-/m0/s1
InChIKeyINYHDSLJLLDDHF-NRFANRHFSA-N
XLogP3.38
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine with MolForge

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentanamine
CID 167947795
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
(3R)-3-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]oxolan-2-one
CID 95740548
1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 43150704
1-benzyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110953884
2-[(1-benzylpiperidin-4-yl)amino]-1-cyclopropylethanol
CID 63294565
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 53272644
4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 9319675
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 60548428
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 55472238

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine (CID 30961220) is 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine is c1ccc(CN2CCC(NC[C@@H](c3cccs3)N3CCOCC3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine?
The InChIKey is INYHDSLJLLDDHF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-2-5-19(6-3-1)18-24-10-8-20(9-11-24)23-17-21(22-7-4-16-27-22)25-12-14-26-15-13-25/h1-7,16,20-21,23H,8-15,17-18H2/t21-/m0/s1.
What are the key properties of 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine?
1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine has a molecular weight of 385.58 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine is sourced from PubChem (CID 30961220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).