1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine

C19H28N4S — CID 91651434

IUPAC1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine
SMILESCCc1nnc(CNC2C(C)CN(Cc3ccccc3)CC2C)s1
InChIInChI=1S/C19H28N4S/c1-4-17-21-22-18(24-17)10-20-19-14(2)11-23(12-15(19)3)13-16-8-6-5-7-9-16/h5-9,14-15,19-20H,4,10-13H2,1-3H3
InChIKeyDSVBGXQXCLBIEQ-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.35
Rot. Bonds6

About 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine

1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine (PubChem CID 91651434) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine
PubChem CID91651434
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC Name1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine
SMILESCCc1nnc(CNC2C(C)CN(Cc3ccccc3)CC2C)s1
InChIInChI=1S/C19H28N4S/c1-4-17-21-22-18(24-17)10-20-19-14(2)11-23(12-15(19)3)13-16-8-6-5-7-9-16/h5-9,14-15,19-20H,4,10-13H2,1-3H3
InChIKeyDSVBGXQXCLBIEQ-UHFFFAOYSA-N
XLogP3.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine
CID 99829515
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648132
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine (CID 91651434) is 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine is CCc1nnc(CNC2C(C)CN(Cc3ccccc3)CC2C)s1.
What is the InChIKey of 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine?
The InChIKey is DSVBGXQXCLBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c1-4-17-21-22-18(24-17)10-20-19-14(2)11-23(12-15(19)3)13-16-8-6-5-7-9-16/h5-9,14-15,19-20H,4,10-13H2,1-3H3.
What are the key properties of 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine?
1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine has a molecular weight of 344.53 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine is sourced from PubChem (CID 91651434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).