(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

C18H25N3S — CID 96560100

IUPAC(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)Cc1cscn1
InChIInChI=1S/C18H25N3S/c1-15-10-21(11-16-6-4-3-5-7-16)9-8-18(15)20(2)12-17-13-22-14-19-17/h3-7,13-15,18H,8-12H2,1-2H3/t15-,18+/m1/s1
InChIKeyQWBDBTSRRWQFPY-QAPCUYQASA-N
MW315.49 g/mol
LogP3.49
Rot. Bonds5

About (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 96560100) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
PubChem CID96560100
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)Cc1cscn1
InChIInChI=1S/C18H25N3S/c1-15-10-21(11-16-6-4-3-5-7-16)9-8-18(15)20(2)12-17-13-22-14-19-17/h3-7,13-15,18H,8-12H2,1-2H3/t15-,18+/m1/s1
InChIKeyQWBDBTSRRWQFPY-QAPCUYQASA-N
XLogP3.49
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
1-benzyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N,3-dimethylpiperidin-4-amine
CID 75470893
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
CID 99606871
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol
CID 111858533
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide
CID 100624175
N-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 95632240
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (CID 96560100) is (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)Cc1cscn1.
What is the InChIKey of (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is QWBDBTSRRWQFPY-QAPCUYQASA-N. The full InChI is InChI=1S/C18H25N3S/c1-15-10-21(11-16-6-4-3-5-7-16)9-8-18(15)20(2)12-17-13-22-14-19-17/h3-7,13-15,18H,8-12H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 315.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 96560100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).